SCHEMBL9861856

SCHEMBL9861856

C#Cc1c(C#C)c2ccccc2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
HPRT1 P00492 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 5/20 0.33
CYP2A6 P11509 4/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
IDO1 P14902 1/20 0.32
GPR3 P46089 1/20 0.30

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
SCHEMBL1478052 0.90 CYP19A1 (0.46) CYP19A1HPRT1ALDH1A1KDM4EMEN1
SCHEMBL29870054 0.90 CYP19A1 (0.46) CYP19A1HPRT1ALDH1A1KDM4EMEN1
SCHEMBL4193242 0.82 CYP19A1 (0.47) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL9929156 0.82 CYP19A1 (0.42) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL15285618 0.80 CYP19A1 (0.37) CYP19A1CYP1A2
SCHEMBL7630201 0.78 CYP19A1 (0.39) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL7035972 0.78 KDM4E (0.50) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL16569927 0.78 CYP3A4 (0.40) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL28851984 0.75 CYP19A1 (0.50) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL27759843 0.73 KDM4E (0.42) CYP19A1ALDH1A1KDM4EMEN1KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
WO-1991009066-A1 HIGH CARBON RESINS AND FOAMS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1991-06-27 WO disclosed
EP-0095048-B1 OLIGOMER COATED ELECTRONIC CIRCUIT COMPONENT AND METHOD OF COATING International Business Machines Corporation (US) 1988-11-30 EP disclosed
US-4690962-A BLEND OF ACETYLENIC OLIGOMER WITH PLASTICIZER AND TOUGHNESS AGENTS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1987-09-01 US disclosed
US-4592944-A Integrated circuit chip sealed with a protective coating INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1986-06-03 US disclosed
EP-0095048-A2 Oligomer coated electronic circuit component and method of coating International Business Machines Corporation (US) 1983-11-30 EP disclosed
EP-0000385-B1 THERMOSETTING COMPOSITIONS BASED ON POLYARYLACETYLENES AND SUBSTITUTED POLYPHENYLENE OXIDES AND RESINS OBTAINED BY CURING THEM HERCULES INCORPORATED (US) 1981-08-26 EP disclosed
US-4144218-A MOLDING MATERIALS HERCULES INCORPORATED (US) 1979-03-13 US disclosed
EP-0000385-A1 Thermosetting compositions based on polyarylacetylenes and substituted polyphenylene oxides and resins obtained by curing them HERCULES INCORPORATED (US) 1979-01-24 EP disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 US disclosed