SCHEMBL3373647

SCHEMBL3373647

Nc1[c]cccc1-c1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 3/20 0.44
IDO1 P14902 4/20 0.38
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 4/20 0.35
GAA P10253 4/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
ATAD2 Q6PL18 1/20 0.34
ADORA2A P29274 3/20 0.33
BTK Q06187 1/20 0.33
PTPRC P08575 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL9719128 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4
SCHEMBL21224461 0.78 DPP4 (0.44) ALDH1A1SMN1; SMN2HSD17B10KDM4ENPC1
SCHEMBL9425799 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4
SCHEMBL19022 0.78
SCHEMBL7446493 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4
SCHEMBL7393282 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1ALOX15CYP3A4HSD17B10
SCHEMBL169281 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4
SCHEMBL31607672 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4
Ammonia Solution, Strong SCHEMBL21297045 0.74 ALDH1A1 (0.93) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4
Hydrochloric Acid SCHEMBL21465353 0.74 ALDH1A1 (0.93) ALDH1A1L3MBTL1SMN1; SMN2ALOX15CYP3A4

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-1642567-B1 Colouring composition comprising naphthoylene-benzimidazolium compound as direct dye, preparation and uses OREAL (FR) 2010-11-03 EP claimed
EP-1642567-A1 Colouring composition comprising nyphthoylene-benzimidazolium compound as direct dye, preparation and uses L'OREAL (FR) 2006-04-05 EP claimed
EP-1642567-B1 Colouring composition comprising naphthoylene-benzimidazolium compound as direct dye, preparation and uses OREAL (FR) 2010-11-03 EP disclosed
EP-1642567-A1 Colouring composition comprising nyphthoylene-benzimidazolium compound as direct dye, preparation and uses L'OREAL (FR) 2006-04-05 EP disclosed
EP-1642567-A1 Colouring composition comprising nyphthoylene-benzimidazolium compound as direct dye, preparation and uses L'OREAL (FR) 2006-04-05 EP disclosed