SCHEMBL9342232

SCHEMBL9342232

CCc1ccc(C(=S)C=Cc2ccc(N)c(N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 3/20 0.40
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ LMNA P02545 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9342014 0.85 MAOB (0.51) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9341440 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9338586 0.82 NPSR1 (0.48) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9341512 0.81 MAOA (0.46) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9341522 0.81 ALOX5 (0.49) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9342270 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9337818 0.79 HDAC4 (0.45) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9338502 0.78 ABCG2 (0.56) SMN1; SMN2LMNAKDM4EKMT2AALDH1A1
SCHEMBL9342426 0.78 PTGS2 (0.44) SMN1; SMN2MAOBMAOAPTGS1PTGS2
SCHEMBL9341575 0.78 MAOB (0.46) SMN1; SMN2MAOBMAOAPTGS1PTGS2

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-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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