SCHEMBL6572032

SCHEMBL6572032

CNc1ccc(N)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.52
APP P05067 1/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3785429 0.84 ALDH1A1 (0.40) GLAGAAMEN1KMT2AHSD17B10
SCHEMBL6572329 0.80 ACHE (0.43) TSHRPOLBGAAMEN1KMT2A
SCHEMBL5851644 0.79 KIF11 (0.63) KIF11APPTSHRMAPK1GLA
SCHEMBL6570938 0.79 KIF11 (0.46) KIF11MAOB
SCHEMBL6573243 0.78 ALDH1A1 (0.45) APPGLAGAAMEN1ALOX15
SCHEMBL6572165 0.78 USP7 (0.43) APPALOX15HSD17B10
SCHEMBL21020925 0.78 KIF11 (0.57) KIF11APPTSHRMAPK1GLA
SCHEMBL6573705 0.78 PTGER4 (0.43) KIF11TSHRMAPK1ALOX15KMT2A
SCHEMBL1578151 0.78 KIF11 (0.61) KIF11TSHRMAPK1GLAPOLB
SCHEMBL3785718 0.78 MAOA (0.42) TSHRMAPK1POLBGAAMEN1

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