SCHEMBL11650293

SCHEMBL11650293

COc1ccc(C(C)c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 4/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL5999908 0.98 CYP17A1 (0.57) CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL834546 0.87 CA1 (0.61) NPC1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10460417 0.85 CYP17A1 (0.61) CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL7995827 0.84 CA1 (0.58) NPC1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL724559 0.82 CYP3A4 (0.52) CYP17A1SMN1; SMN2CYP2C19CYP3A4CYP2D6
SCHEMBL23882639 0.82 CYP17A1 (0.57) CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL23882638 0.82 CYP17A1 (0.57) CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL27449121 0.82 CYP17A1 (0.57) CYP17A1SMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL28330426 0.80 RAB9A (0.56) SMN1; SMN2NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL15232928 0.80 CA1 (0.52) CYP1A2CYP2C9CYP2C19RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124386-A Color diffusion transfer receiving layer comprising polymeric quaternary n-heterocyclic mordant FUJI PHOTO FILM CO., LTD. (JP) 1978-11-07 US claimed
US-4124386-A Color diffusion transfer receiving layer comprising polymeric quaternary n-heterocyclic mordant FUJI PHOTO FILM CO., LTD. (JP) 1978-11-07 US disclosed
US-4021428-A 4-Piperidino-5-oxo-2-pyrazolines FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US disclosed
US-3956339-A 4-Pyridinio-5-pyrazolone salts, process for their preparation and their use FUJI PHOTO FILM CO., LTD. (JA) 1976-05-11 US disclosed