SCHEMBL6571957

SCHEMBL6571957

Nc1ccc(-c2cc(N)ccc2NCCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.38
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TOP2B Q02880 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6571342 0.92 USP7 (0.40) PRSS1TDP1TSHRKDM4EALDH1A1
SCHEMBL6571430 0.91 PRSS1 (0.37) PRSS1FCGR3BFCGR1AFCGR2ATDP1
SCHEMBL6570671 0.90 CYP1A2 (0.43) PRSS1TDP1TSHRKMT2AKDM4E
SCHEMBL6571157 0.90 TDO2 (0.38) PRSS1TDP1TSHRALDH1A1CYP3A4
SCHEMBL6571420 0.90 MKNK1 (0.37) PRSS1TDP1TSHRKMT2AKDM4E
SCHEMBL6572117 0.90 FCGR3B (0.36) PRSS1FCGR3BFCGR1AFCGR2ATDP1
SCHEMBL6573032 0.90 ALDH1A1 (0.38) PRSS1TDP1TSHRKMT2AKDM4E
SCHEMBL6570922 0.90 PTGDR2 (0.44) TDP1KDM4EHTTALDH1A1TOP2B
SCHEMBL6574148 0.88 KDM4E (0.41) PRSS1FCGR3BFCGR1AFCGR2AKDM4E
Hydrochloric Acid SCHEMBL6573152 0.88 PTGDR2 (0.43) PRSS1TDP1KDM4EHTTALDH1A1

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