SCHEMBL6572072

SCHEMBL6572072

CNc1ccc(NC)c(-c2cc(N)ccc2NCCO)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 1/20 0.34
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
CASP6 P55212 1/20 0.31
ELAVL1 Q15717 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLA P06280 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
RPS6KA2 Q15349 1/20 0.30
NQO2 P16083 3/20 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
SCHEMBL6574185 0.92 FCGR3B (0.33) FCGR3BFCGR1AFCGR2AKDM4EALDH1A1
SCHEMBL6572949 0.86 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AKDM4EALDH1A1
SCHEMBL6574122 0.83 HTR6 (0.37) FCGR3BFCGR1AFCGR2AKDM4EKMT2A
SCHEMBL6573010 0.81 AR (0.32)
SCHEMBL6573528 0.81 FCGR3B (0.35) FCGR3BFCGR1AFCGR2AALDH1A1KMT2A
SCHEMBL6570745 0.80 BRD4 (0.39) FCGR3BFCGR1AFCGR2AKDM4EALDH1A1
SCHEMBL5373965 0.80 KDM4E (0.36) FCGR3BFCGR1AFCGR2AKDM4EALDH1A1
SCHEMBL6570894 0.79 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AKDM4EALDH1A1
SCHEMBL6572813 0.79 PRKCI (0.34) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL6573315 0.79 KMT2A (0.37) FCGR3BFCGR1AFCGR2AALDH1A1KMT2A

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