SCHEMBL11686391

SCHEMBL11686391

O=C(NSc1ccc(NNC(=O)C(F)(F)F)cc1)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL11685282 0.96 MAOA (0.41) MAOAMAOBTP53SMN1; SMN2EPHX1
SCHEMBL2231647 0.80 GAA (0.58) SMN1; SMN2TSHRGAAALOX12CYP2C19
SCHEMBL11685289 0.77 GAA (0.54) MAOAMAOBSMN1; SMN2CLK4GAA
SCHEMBL23447277 0.74 NPC1 (0.54) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL10998968 0.72 SMN1; SMN2 (0.42) MAOAMAOBTP53SMN1; SMN2EPHX1
SCHEMBL23447724 0.70 MAPT (0.71) TP53SMN1; SMN2EPHX2GAARAB9A
SCHEMBL13648229 0.69 SMN1; SMN2 (0.70) MAOAMAOBTP53SMN1; SMN2EPHX1
SCHEMBL474941 0.69 HDAC1 (0.65) TP53SMN1; SMN2EPHX1TSHREPHX2
SCHEMBL24713130 0.69 EPHX2 (0.58) TP53EPHX2RAB9AKMT2AMAPT
SCHEMBL4154196 0.68 CA12 (0.56) TP53SMN1; SMN2EPHX2GAARAB9A

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
US-4030925-A Photographic compositions and elements including internal latent image silver halide grains and acylhydrazinophenylthiourea nucleating agents therefor EASTMAN KODAK COMPANY (US) 1977-06-21 — — US disclosed
US-4031127-A Acyl hydrazino thiourea derivatives as photographic nucleating agents EASTMAN KODAK COMPANY (US) 1977-06-21 — — US disclosed
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