SCHEMBL9088185

SCHEMBL9088185

COc1ccc(Cn2nc(Br)c([N+](=O)[O-])c2NCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
MAPT P10636 6/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PTGER4 P35408 1/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL8919318 0.90 HTT (0.44) MAPTKDM4EMAPK1SMN1; SMN2ALDH1A1
SCHEMBL9087932 0.90 MAPT (0.48) EGFRMAPTNPSR1MAPK1SMN1; SMN2
SCHEMBL8640609 0.88 SMN1; SMN2 (0.50) MAPTNPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8641624 0.87 MAPT (0.46) MAPTNPSR1NPC1RAB9AKDM4E
SCHEMBL6755732 0.85 MAPT (0.42) EGFRMAPTNPSR1KDM4EMAPK1
SCHEMBL9089433 0.85 RAB9A (0.47) EGFRMAPTNPC1RAB9AKDM4E
SCHEMBL9089099 0.84 SMN1; SMN2 (0.43) EGFRMAPTNPC1RAB9AKDM4E
SCHEMBL5416063 0.83 KDM4E (0.43) EGFRMAPTNPSR1KDM4EMAPK1
SCHEMBL8920720 0.82 MAPT (0.41) MAPTMAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8920097 0.82 CYP3A4 (0.44) MAPTKDM4EMAPK1SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 US disclosed
EP-0618903-A1 OXIDATION HAIR DYE CONTAINING 4,5-DIAMINOPYRAZOLE DERIVATIVES AND NOVEL 4,5-DIAMINOPYRAZOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION Wella Aktiengesellschaft (DE) 1994-10-12 EP disclosed
WO-1994008970-A1 OXIDATION HAIR DYE CONTAINING 4,5-DIAMINOPYRAZOLE DERIVATIVES AND NOVEL 4,5-DIAMINOPYRAZOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed