SCHEMBL6571701

SCHEMBL6571701

Cc1cccc(-c2cc(N(CCO)CCO)ccc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
SLC9A5 Q14940 1/20 0.36
S100B P04271 1/20 0.36
RPS6KA3 P51812 1/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ADORA1 P30542 2/20 0.35
CHEK1 O14757 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
MET P08581 1/20 0.35

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
SCHEMBL6570998 0.86 MAPT (0.38) MAPTGAAPKMHTTMCL1
SCHEMBL6572316 0.85 S100B (0.40) MAPTGAAPKMHTTMCL1
SCHEMBL6571445 0.85 KMT2A (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL6571005 0.84 TAAR1 (0.39) MAPTGAAPKMHTTMCL1
SCHEMBL6571458 0.84 CYP3A4 (0.38) MAPTGAAPKMHTTMCL1
SCHEMBL6572821 0.84 ALDH1A1 (0.37) MAPTS100BRPS6KA3RAB9AKMT2A
SCHEMBL6571939 0.83 STK4 (0.45) MAPTGAAPKMHTTMCL1
SCHEMBL6573422 0.83 HRH3 (0.42) MAPTGAAPKMHTTMCL1
SCHEMBL6574721 0.83 TDO2 (0.42) MAPTRPS6KA3ADORA1ABL1LCK
SCHEMBL6570991 0.81 MEN1 (0.42) RAB9AKMT2AMEN1ADORA1NPC1

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