SCHEMBL6572099

SCHEMBL6572099

CCCCCc1ccc(-c2cc(N)ccc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SKP2 Q13309 1/20 0.49
RARB P10826 7/20 0.46
TSHR P16473 1/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44

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
SCHEMBL16758692 0.98 HTR2A (0.56) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6572967 0.98 HTR2A (0.51) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL1076315 0.95 SKP2 (0.54) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6574359 0.93 SKP2 (0.53) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL6572129 0.90 RAB9A (0.45) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6572473 0.88 RAB9A (0.44) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL10705371 0.85 RAB9A (0.46) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL401939 0.84 HTR2A (0.51) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL28621721 0.84 MAOB (0.39) HTR2AKDM4EHSD17B10ALDH1A1RAB9A
SCHEMBL27540999 0.83 SKP2 (0.49) HTR2AKDM4EHSD17B10ALDH1A1RAB9A

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 2 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