SCHEMBL6570753

SCHEMBL6570753

CN(C)c1ccccc1-c1cc(N)ccc1NCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.36
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
BRCA1 P38398 1/20 0.33
HIF1A Q16665 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CASP6 P55212 1/20 0.32
CDC25A P30304 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 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
SCHEMBL6570795 0.85 ALDH1A1 (0.40) TOP2BFCGR3BFCGR1AFCGR2AKDM4E
SCHEMBL6570869 0.82 ALDH1A1 (0.33) KDM4ESMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL6572757 0.82 PLA2G7 (0.43) TOP2BKDM4EGLACYP2C19SMN1; SMN2
SCHEMBL6574155 0.81 ALDH1A1 (0.41) TOP2BFCGR3BFCGR1AFCGR2AKDM4E
SCHEMBL6572743 0.80 TOP2B (0.39) TOP2BKDM4EGLACYP2C19SMN1; SMN2
SCHEMBL6571902 0.79 TOP2B (0.38) TOP2BKDM4EGLACYP2C19SMN1; SMN2
SCHEMBL6572950 0.79 PLA2G7 (0.50) TOP2BCYP2C19SMN1; SMN2RECQLALDH1A1
SCHEMBL6573754 0.78 KDM4E (0.40) KDM4EGLAALDH1A1MAPK1GAA
SCHEMBL6570922 0.78 PTGDR2 (0.44) TOP2BKDM4EGLACYP2C19RECQL
SCHEMBL6571904 0.78 ALDH1A1 (0.42) CYP2C19ALDH1A1MAPK1MAPTNPC1

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