SCHEMBL9342565

SCHEMBL9342565

CCc1ccc(C(=S)C=Cc2cccc(C)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HDAC3 O15379 3/20 0.33
▸ HDAC4 P56524 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33

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
SCHEMBL9339663 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL10497990 0.84 THRA (0.44) —
SCHEMBL9342389 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL9342783 0.82 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1HTTPTGS1
SCHEMBL9337681 0.80 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1GAAHTT
SCHEMBL9341978 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL9338280 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KDM4EHTT
SCHEMBL9338323 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL9337789 0.78 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1POLBKDM4E
SCHEMBL9338421 0.77 CYP1A1 (0.45) SMN1; SMN2MAPTALDH1A1POLBKDM4E

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 3 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-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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