SCHEMBL7461302

SCHEMBL7461302

CNc1cc(CC(O)CO)cc(-c2ccsc2)c1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHEK2 O96017 2/20 0.33
CYP2A6 P11509 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
TDO2 P48775 1/20 0.30
KCNH2 Q12809 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
SCHEMBL7456329 0.83 MEN1 (0.36) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7455593 0.79 CHEK2 (0.33) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7454371 0.79 CSNK2A1 (0.33)
SCHEMBL7456352 0.79
SCHEMBL7456583 0.78 PRKCA (0.31)
SCHEMBL7462797 0.76 MEN1 (0.35) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7808839 0.74 PTPN1 (0.36) MEN1USP2MAPTALOX15KMT2A
SCHEMBL7812294 0.74
SCHEMBL7807633 0.73 PRKCA (0.31)
SCHEMBL7459990 0.67 IMPDH2 (0.39) MEN1USP2MAPTALOX15KMT2A

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