SCHEMBL1128087

SCHEMBL1128087

CCCN1C=Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
OPRM1 P35372 2/20 0.34
SETD7 Q8WTS6 2/20 0.34
DRD2 P14416 2/20 0.34
HTR1A P08908 2/20 0.34
ABCB11 O95342 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Iodide SCHEMBL10482578 0.98 HDAC3 (0.51) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL6024516 0.98 HDAC3 (0.51) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1127857 0.90 HDAC3 (0.57) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL2447417 0.88 HDAC3 (0.56) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9161505 0.88 HDAC3 (0.59) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL28570347 0.88 HDAC3 (0.56) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1961830 0.87 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1959030 0.87 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1963055 0.87 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1963183 0.87 HDAC3 (0.61) HDAC3ALDH1A1CYP1A2CYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805204-B Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2023-09-15 CN claimed
EP-0877298-B1 Coated xerographic photographic paper XEROX CORP (US) 2001-08-29 EP claimed
US-4580855-A COOLING TO SOLIDIFY 7,7,8,8-TETRACYANOQUINODIMETHANE COMPLEX SALT SANYO ELECTRIC CO., LTD. (JP) 1986-04-08 US claimed
JP-1138709-A None JP disclosed
CN-114805204-B Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2023-09-15 CN disclosed
CN-114805204-A Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound 云南师范大学 2022-07-29 CN disclosed
US-20200259085-A1 TREATMENT LIQUID CONTAINING IONIC COMPOUND, ORGANIC ELECTRONIC ELEMENT, AND METHOD FOR PRODUCING ORGANIC ELECTRONIC ELEMENT HITACHI CHEMICAL COMPANY, LTD. 2020-08-13 US disclosed
US-10665786-B2 Treatment liquid containing ionic compound, organic electronic element, and method for producing organic electronic element HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-26 US disclosed
US-20200143954-A1 ORGANIC ELECTRONIC MATERIAL, POLYMERIZATION INITIATOR AND THERMAL POLYMERIZATION INITIATOR, INK COMPOSITION, ORGANIC THIN FILM AND PRODUCTION METHOD FOR SAME, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, DISPLAY ELEMENT, AND DISPLAY DEVICE HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-07 US disclosed
US-10566105-B2 Method for producing charge transport film HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-02-18 US disclosed
CN-105514272-B Hole injection layer and hole transmission layer 日立化成株式会社 2018-09-14 CN disclosed
EP-0224207-B1 CHARGE TRANSFER COMPLEX THE JAPAN CARLIT CO., LTD. (JP) 1991-06-05 EP disclosed
US-4982312-A N,N-ALKYLENE-DI-3,5-LUTIDINE COMPLEXEED WITH 7,7,8,8-TETRACYANOQUINODIMETHAN THE JAPAN CARLIT CO., LTD. (JP) 1991-01-01 US disclosed
EP-0367147-A2 Charge transfer complex and solid electrolytic capacitor employing the same THE JAPAN CARLIT CO., LTD. (JP) 1990-05-09 EP disclosed
US-4864472-A Solid electrolyte capacitor MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1989-09-05 US disclosed
JP-H01138709-A SOLID ELECTROLYTIC CAPACITOR SANYO ELECTRIC CO LTD 1989-05-31 JP disclosed
US-4729844-A TETRACYANOQUINODIMETHAN COMPLEX SALT OF N-ISOAMYL-ISOQUINOLINE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1988-03-08 US disclosed
US-4688153-A ELECTROLYTIC CAPACITORS THE JAPAN CARLIT CO., LTD. (JP) 1987-08-18 US disclosed
EP-0224207-A2 Charge transfer complex THE JAPAN CARLIT CO., LTD. (JP) 1987-06-03 EP disclosed
US-4580855-A COOLING TO SOLIDIFY 7,7,8,8-TETRACYANOQUINODIMETHANE COMPLEX SALT SANYO ELECTRIC CO., LTD. (JP) 1986-04-08 US disclosed