SCHEMBL9338586

SCHEMBL9338586

CCc1ccc(C(=S)C=Cc2cccc(N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CYP19A1 P11511 5/20 0.42
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ SLC6A19 Q695T7 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ MEF2D Q14814 1/20 0.35

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
SCHEMBL9337818 0.87 HDAC4 (0.45) MAOAMAOBSMN1; SMN2NPC1MAPT
SCHEMBL9341440 0.87 SMN1; SMN2 (0.46) CYP19A1MAOAMAOBSMN1; SMN2NPC1
SCHEMBL10497705 0.85 THRA (0.44) MEN1KMT2A
SCHEMBL9779017 0.84 MAOB (0.48) NPSR1MAOAMAOBSMN1; SMN2NPC1
SCHEMBL9338665 0.84 SLC6A19 (0.51) NPSR1MAOAMAOBSMN1; SMN2MAPT
SCHEMBL9338406 0.82 BCL2 (0.43) SMN1; SMN2NPC1MAPTPTGS2PTGS1
SCHEMBL9338680 0.82 HDAC4 (0.39) MAOAMAOBSMN1; SMN2NPC1MAPT
SCHEMBL9342232 0.82 SMN1; SMN2 (0.44) NPSR1MAOAMAOBSMN1; SMN2NPC1
SCHEMBL9339939 0.81 MAOB (0.54) MAOAMAOBKDM4EMEN1ALDH1A1
SCHEMBL9339925 0.81 HDAC4 (0.41) NPSR1MAOAMAOBSMN1; SMN2NPC1

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
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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