SCHEMBL6571037

SCHEMBL6571037

COc1cccc(OC)c1-c1cc(N)ccc1NCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NR3C1 P04150 1/20 0.39
GAA P10253 3/20 0.38
GBA1 P04062 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6571104 0.86 PTGER4 (0.42) TSHRL3MBTL1NR3C1GAAKDM4E
SCHEMBL6573754 0.86 KDM4E (0.40) TSHRL3MBTL1GAAGBA1KDM4E
SCHEMBL6572615 0.83 NSD2 (0.42) TSHRL3MBTL1GAAKDM4EGLA
SCHEMBL6573393 0.82 AGTR1 (0.39) TSHRNR3C1MEN1KMT2AMAPT
SCHEMBL6571976 0.81 TOP2B (0.37) KDM4EGLAMEN1KMT2AMAPT
SCHEMBL9499966 0.81 GAA (0.47) TSHRGAAGBA1KDM4EGLA
SCHEMBL6570745 0.81 BRD4 (0.39) TSHRL3MBTL1GAAKDM4EGLA
SCHEMBL6572331 0.80 RECQL (0.39) TSHRL3MBTL1KDM4EMEN1KMT2A
SCHEMBL6574341 0.80 HDAC4 (0.38) TSHRL3MBTL1GAAKDM4EMAPT
SCHEMBL6572605 0.80 APP (0.43) TSHRL3MBTL1NR3C1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed