SCHEMBL7808698

SCHEMBL7808698

Cc1cc(N)c(-c2ccc[nH]2)cc1N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CDK2 P24941 1/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL7809775 0.84 MEN1 (0.32) MEN1PABPC1KMT2AGAAMAPT
SCHEMBL7808739 0.84 ALDH1A1 (0.34) ALDH1A1CDK2MEN1PABPC1KMT2A
SCHEMBL7812480 0.77 CDK2 (0.32) CDK2
SCHEMBL7808744 0.77 MAPT (0.36) ALDH1A1CDK2MEN1KMT2AGAA
SCHEMBL7812221 0.77 MEN1 (0.33) CDK2MEN1PABPC1KMT2AGAA
SCHEMBL7808894 0.76 MEN1 (0.32) MEN1PABPC1KMT2AGAAMAPT
SCHEMBL7460434 0.76 ALDH1A1 (0.36) ALDH1A1GAAMAPT
SCHEMBL7812329 0.76 MAPT (0.36) CDK2MEN1KMT2AGAAMAPT
SCHEMBL7808701 0.75 CYP3A4 (0.41) ALDH1A1CDK2
SCHEMBL7805979 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGAAMAPT

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-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed