SCHEMBL6572728

SCHEMBL6572728

Nc1ccc(-c2cc(NCCO)ccc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.38
FCGR1A P12314 1/20 0.38
FCGR2A P12318 1/20 0.38
ALDH1A1 P00352 2/20 0.36
APP P05067 1/20 0.35
IKBKB O14920 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MMP14 P50281 1/20 0.33
BLM P54132 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6572942 0.89 APP (0.41) ALDH1A1APPMEN1POLBMMP14
SCHEMBL6571323 0.89 ALDH1A1 (0.35) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6570757 0.88 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1APP
SCHEMBL6572071 0.87 NPC1 (0.39) ALDH1A1IKBKBMEN1KMT2AMAPT
SCHEMBL6572249 0.87 MAPT (0.44) ALDH1A1MEN1POLBMMP14BLM
SCHEMBL6572585 0.87 ALDH1A1 (0.42) ALDH1A1MEN1POLBMMP14BLM
SCHEMBL6572047 0.84 FCGR3B (0.40) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572273 0.84 CDK1 (0.46) MEN1KMT2AHDAC2
SCHEMBL6574702 0.84 ABL1 (0.36) ALDH1A1APPMEN1POLBMMP14
SCHEMBL6572347 0.84 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1APP

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