SCHEMBL3285344

SCHEMBL3285344

C=CC(=O)NCNC(=O)C=C.C=Cc1ccccc1C=C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TGM2 P21980 7/20 0.46
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
AKT1 P31749 1/20 0.36
GSR P00390 1/20 0.36

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
Benzophenone SCHEMBL1200240 0.79 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL174937 0.79 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL20000 0.78 TSHR (1.00) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL10552719 0.78 TSHR (1.00) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL11053017 0.78 TSHR (1.00) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL18577061 0.77 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1TDP1CYP2C9
Lithium SCHEMBL31621064 0.76 TSHR (0.94) ALDH1A1TSHRMAPK1TDP1TGM2
Hydrochloric Acid SCHEMBL8359289 0.76 TSHR (0.94) ALDH1A1TSHRMAPK1TDP1TGM2
SCHEMBL5175864 0.76 TSHR (0.94) ALDH1A1TSHRMAPK1TDP1TGM2
Ammonia Solution, Strong SCHEMBL28281523 0.76 TSHR (0.94) ALDH1A1TSHRMAPK1TDP1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4365250-A1 MIGRATION-PREVENTING COATING AGENT Sakata INX Corporation (JP) 2024-05-08 EP disclosed
US-7700703-B2 Polymer additives and adhesive compositions including them ROHM AND HAAS COMPANY (US) 2010-04-20 US disclosed
US-20060142493-A1 Polymer additives and adhesive compositions including them ROHM AND HAAS COMPANY 2006-06-29 US disclosed
EP-0405461-A2 Silicone-based composite rubber composition and uses thereof JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-01-02 EP disclosed
EP-0125763-B1 MEDIUM FOR ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1987-05-06 EP disclosed