SCHEMBL9342457

SCHEMBL9342457

Cc1ccc(C(=S)C=Cc2cccc(C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ ALOX5 P09917 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ RELA Q04206 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ MMP1 P03956 3/20 0.41
▸ MMP2 P08253 3/20 0.41

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
SCHEMBL9337686 0.87 HSD17B3 (0.54) MAOAMAOBCYP1B1MAPTTDP1
SCHEMBL9337604 0.87 MMP1 (0.56) MAOAMAOBCYP1B1MAPTMMP1
SCHEMBL9779017 0.86 MAOB (0.48) MAOAMAOBALOX5PTGS1PTGS2
SCHEMBL9778685 0.86 APP (0.45) MAOAMAOBCYP1B1MAPTEGFR
SCHEMBL9341559 0.86 CYP1A2 (0.53) MAOAMAOBALOX5CYP1B1MAPT
SCHEMBL9339436 0.86 NFE2L2 (0.61) MAOAMAOBPTGS1PTGS2CYP1B1
SCHEMBL9338542 0.84 CYP1B1 (0.64) MAOAMAOBCYP1B1MAPTTDP1
SCHEMBL9339814 0.83 MAOB (0.58) MAOAMAOBCYP1B1EGFRRELA
SCHEMBL9342218 0.83 MAPT (0.41) MAOAMAOBCYP1B1MAPTTDP1
SCHEMBL9342483 0.82 P4HB (0.54) MAOAMAOBFBP1

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 6 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 claimed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
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
Send feedback