SCHEMBL6572249

SCHEMBL6572249

Cc1ccc(-c2cc(NCCO)ccc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
MAPK1 P28482 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
KIF11 P52732 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
SCHEMBL6572728 0.87 FCGR3B (0.38) MAPTALDH1A1TDP1RAB9ACNR1
SCHEMBL6572942 0.86 APP (0.41) MAPTALDH1A1KDM4EGAATDP1
SCHEMBL6572071 0.84 NPC1 (0.39) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL6572585 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EMAPK1GAAL3MBTL1
SCHEMBL6571406 0.84 ADRA2A (0.40) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL6571575 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL6572389 0.84 GAA (0.49) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL6571323 0.83 ALDH1A1 (0.35) MAPTALDH1A1KDM4EMAPK1GAA
SCHEMBL6572273 0.82 CDK1 (0.46) LMNAKIF11HTTMEN1KMT2A
SCHEMBL6574702 0.81 ABL1 (0.36) ALDH1A1TDP1CYP3A4CYP2D6CYP2C19

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-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