SCHEMBL6574428

SCHEMBL6574428

C=Cc1ccc(-c2cc(N)ccc2NCCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.35
PRSS1 P07477 8/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LCK P06239 2/20 0.31
KMT2A Q03164 1/20 0.30
SRC P12931 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
FCGR3B O75015 1/20 0.30
FCGR1A P12314 1/20 0.30
FCGR2A P12318 1/20 0.30

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
SCHEMBL6571957 0.86 PRSS1 (0.38) PRSS1TSHRTDP1ALDH1A1KMT2A
SCHEMBL6571917 0.86 TOP2B (0.35) PRSS1TSHRTDP1ALDH1A1LCK
SCHEMBL6572559 0.82 PDE3B (0.33) HDAC2LCK
SCHEMBL6571342 0.82 USP7 (0.40) PRSS1TSHRTDP1ALDH1A1
SCHEMBL6571430 0.82 PRSS1 (0.37) PRSS1TSHRTDP1ALDH1A1KMT2A
SCHEMBL6573032 0.81 ALDH1A1 (0.38) PRSS1TSHRTDP1ALDH1A1KMT2A
SCHEMBL6571157 0.81 TDO2 (0.38) HDAC2PRSS1TSHRTDP1ALDH1A1
SCHEMBL6572117 0.81 FCGR3B (0.36) PRSS1TSHRTDP1KMT2AFCGR3B
SCHEMBL6571420 0.81 MKNK1 (0.37) PRSS1TSHRTDP1ALDH1A1KMT2A
SCHEMBL6570671 0.81 CYP1A2 (0.43) PRSS1TSHRTDP1ALDH1A1KMT2A

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 4 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
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