SCHEMBL4614701

SCHEMBL4614701

Cc1ccc2c(c1)s/c(=N\N)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RXFP1 Q9HBX9 2/20 0.52
PARP10 Q53GL7 5/20 0.44
PARP2 Q9UGN5 3/20 0.44
PARP15 Q460N3 2/20 0.44
PARP14 Q460N5 2/20 0.44
TNKS2 Q9H2K2 2/20 0.44
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TIPARP Q7Z3E1 1/20 0.44
PARP16 Q8N5Y8 1/20 0.44
PARP12 Q9H0J9 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP4 Q9UKK3 1/20 0.44

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
SCHEMBL4614704 1.00 RAB9A (0.57) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL25137219 0.84 RAB9A (0.58) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL4614251 0.81 THRB (0.52) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL4615522 0.81 NPC1 (0.43) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL4614248 0.81 THRB (0.52) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL4615527 0.81 NPC1 (0.43) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL5281276 0.78 RAB9A (0.56) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL5281281 0.78 RAB9A (0.56) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL25137218 0.78 MAPT (0.69) RAB9ANPC1ATMKMT2AALDH1A1
SCHEMBL566154 0.77 MAPT (0.64) RAB9ANPC1ATMKMT2AALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
EP-1699426-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
EP-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP claimed
EP-1601335-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-12-07 EP claimed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP claimed
WO-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO claimed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
EP-1599179-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
EP-1699427-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-09-13 EP disclosed
EP-1599179-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2005060927-A1 AGENT AND METHOD FOR OXIDATIVELY DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO disclosed
WO-2005060928-A1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-07-07 WO disclosed
WO-2004078153-A1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed
WO-2004078152-A1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed