SCHEMBL7465675

SCHEMBL7465675

Nc1c(Cl)cc(N(CCO)CCO)cc1-c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 1/20 0.33
CYP2A6 P11509 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
TDO2 P48775 1/20 0.33
KCNH2 Q12809 1/20 0.33
IMPDH2 P12268 1/20 0.32
ADORA1 P30542 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL7460463 0.84 CYP2A6 (0.39) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7461916 0.80 KCNH2 (0.41) MAPTKMT2AMEN1LMNATP53
SCHEMBL7457589 0.76 KCNH2 (0.36) MAPTKMT2AMEN1BACE1CYP2A6
SCHEMBL7467282 0.76 KCNH2 (0.36) MAPTKMT2AMEN1BACE1CYP2A6
SCHEMBL7800654 0.76 MAPT (0.39) MAPTKMT2AMEN1LMNATP53
SCHEMBL7459423 0.76 CYP2A6 (0.36) MAPTKMT2AMEN1BACE1CYP2A6
SCHEMBL7465818 0.76 KMT2A (0.36) MAPTKMT2AMEN1LMNATP53
SCHEMBL7459254 0.76 CSNK2A1 (0.41) MAPTKMT2AMEN1LMNATP53
SCHEMBL7456698 0.74 KMT2A (0.35) MAPTKMT2AMEN1LMNATP53
SCHEMBL7453289 0.74 CYP3A4 (0.45) MAPTSMN1; SMN2BACE1CYP2A6PDGFRB

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