SCHEMBL4651648

SCHEMBL4651648

CCCCn1ccc2ccc(O)cc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
MCL1 Q07820 7/20 0.43
ESR1 P03372 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KMO O15229 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL4653660 0.90 KDM4E (0.44) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL94719 0.82 MTNR1A (0.40) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL111621 0.81 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL29915749 0.81 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL3919143 0.81 MEN1 (0.54) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL8430623 0.80 KMO (0.59) CDK4CCND1MCL1KMOHTR2A
SCHEMBL27812843 0.80 CDK4 (0.44) CDK4CCND1MCL1MTNR1AMTNR1B
SCHEMBL8434667 0.80 HTR2C (0.56) ALDH1A1CDK4CCND1HTR2AHTR2C
SCHEMBL19526836 0.80 HTR7 (0.57) CDK4CCND1MCL1MTNR1AMTNR1B
SCHEMBL3351795 0.78 MCL1 (0.61) KDM4EALDH1A1SMN1; SMN2MCL1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN disclosed
CN-102498097-A Indole derivatives or pharmaceutically acceptable salts thereof KISSEI PHARMACEUTICAL 2012-06-13 CN disclosed
EP-1035825-B2 HAIR COLORANT PREPARATION HENKEL AG & CO KGAA (DE) 2008-09-24 EP disclosed
EP-1041954-B1 HAIR TREATMENT PRODUCTS HENKEL KGAA (DE) 2004-06-30 EP disclosed
US-6660045-B1 Hair colorant preparation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-12-09 US disclosed
EP-1041955-B1 USE OF TRANSITION METAL COMPLEXES FOR DYEING KERATIN FIBERS HENKEL KGAA (DE) 2003-09-03 EP disclosed
EP-1039875-B1 HAIR TREATMENT COMPOSITION CONTAINING BIOPOLYMERS, PANTHENOL AND MONO- AND/OR DISACCHARIDES HENKEL KGAA (DE) 2002-10-30 EP disclosed
EP-1035825-B1 HAIR COLORANT PREPARATION HENKEL KGAA (DE) 2002-09-25 EP disclosed
CN-1282238-A Active material combination HENKEL KGAA (DE) 2001-01-31 CN disclosed
CN-1281352-A Hair colorant preparation HENKEL KGAA (DE) 2001-01-24 CN disclosed
EP-1041955-A1 USE OF TRANSITIONAL METAL COMPLEXES FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-11 EP disclosed
EP-1041954-A2 HAIR TREATMENT PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-11 EP disclosed
EP-1039875-A2 ACTIVE SUBSTANCE COMBINATION Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-04 EP disclosed
EP-1035825-A2 HAIR COLORANT PREPARATION Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-20 EP disclosed
WO-1999033433-A2 HAIR TREATMENT PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-07-08 WO disclosed
WO-1999033435-A1 USE OF TRANSITIONAL METAL COMPLEXES FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-07-08 WO disclosed
WO-1999032071-A2 HAIR TREATMENT AGENT CONTAINING BIOPOLYMERS AND MONOSACCHARIDES AND/OR DISSACHARIDES AND/OR PANTHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-07-01 WO disclosed
WO-1999029285-A2 HAIR COLORANT PREPARATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-17 WO disclosed