SCHEMBL7464825

SCHEMBL7464825

COCCNc1ccc(N)cc1-c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.44
FYN P06241 1/20 0.42
IMPDH2 P12268 1/20 0.40
NCF1 P14598 2/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
IDH2 P48735 2/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HCAR3 P49019 1/20 0.33
GFER P55789 1/20 0.33
TDO2 P48775 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
Hydrochloric Acid SCHEMBL7460032 0.99 PTGER4 (0.43) PTGER4FYNIMPDH2NCF1MAPT
SCHEMBL7459097 0.92 PTGER4 (0.43) PTGER4FYNIMPDH2MAPTALDH1A1
SCHEMBL6572456 0.83 PTGER4 (0.50) PTGER4NCF1MAPTALDH1A1LMNA
SCHEMBL6572005 0.83 PTGER4 (0.50) PTGER4NCF1MAPTALDH1A1LMNA
SCHEMBL7454443 0.82 IMPDH2 (0.43) IMPDH2MAPTCYP2A6IDH2MEN1
Hydrochloric Acid SCHEMBL7458000 0.81 IMPDH2 (0.42) IMPDH2MAPTCYP2A6IDH2MEN1
SCHEMBL6570689 0.81 PTGER4 (0.48) PTGER4FYNNCF1MAPTALDH1A1
SCHEMBL6572960 0.81 PTGER4 (0.51) PTGER4NCF1MAPTALDH1A1ALOX15
SCHEMBL7460878 0.80 IMPDH2 (0.41) IMPDH2ALDH1A1CYP2A6TDO2KCNH2
Hydrochloric Acid SCHEMBL6572054 0.80 PTGER4 (0.50) PTGER4NCF1MAPTALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963982-B1 New diaminobenzene derivatives and these componends containing colouring agents WELLA AG (DE) 2002-03-13 EP disclosed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP disclosed