SCHEMBL6571917

SCHEMBL6571917

Nc1ccc(NCCO)c(-c2ccc(C=O)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
TSHR P16473 2/20 0.34
LCK P06239 2/20 0.33
KMT2A Q03164 3/20 0.33
DRD1 P21728 2/20 0.33
DRD3 P35462 2/20 0.33
SRC P12931 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RECQL P46063 3/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 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
SCHEMBL6570723 0.87 TRIM24 (0.37) TOP2BNSD2PTGDR2FGBMMP14
SCHEMBL6571957 0.86 PRSS1 (0.38) TOP2BTDP1TSHRKMT2AALDH1A1
SCHEMBL6574428 0.86 HDAC2 (0.35) TDP1TSHRLCKKMT2ASRC
SCHEMBL6571342 0.82 USP7 (0.40) TDP1TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL6571430 0.82 PRSS1 (0.37) TOP2BTDP1TSHRKMT2AALDH1A1
SCHEMBL6572552 0.81 PDE3B (0.35) TSHRLCKDRD1SRCPRKACA
SCHEMBL6572117 0.81 FCGR3B (0.36) TDP1TSHRKMT2AFYNPRSS1
SCHEMBL6570671 0.81 CYP1A2 (0.43) TDP1TSHRKMT2AALDH1A1MEN1
SCHEMBL6571157 0.81 TDO2 (0.38) TDP1TSHRALDH1A1CHRM2CYP3A4
SCHEMBL6573032 0.81 ALDH1A1 (0.38) TDP1TSHRKMT2ASRCPRKACA

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