SCHEMBL9341603

SCHEMBL9341603

Cc1ccc(C(=S)C=Cc2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.60
▸ MAPT P10636 3/20 0.51
▸ TNFRSF1A P19438 1/20 0.51
▸ HSD11B1 P28845 1/20 0.47
▸ MET P08581 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ MAOA P21397 3/20 0.46
▸ MAOB P27338 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ CYP1B1 Q16678 3/20 0.45
▸ CYP1A1 P04798 2/20 0.45
▸ ACHE P22303 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL10337730 0.91 MAPT (0.60) NFE2L2MAPTMAOAMAOBPOLB
SCHEMBL9338080 0.85 PTGS2 (0.43) NFE2L2MAPTMETPTGS2MAOA
SCHEMBL9338179 0.84 MAPT (0.65) MAPTHSD11B1MAOAMAOBPOLB
SCHEMBL9338517 0.83 GPR183 (0.52) MAPTMAOAMAOBPOLBRAB9A
SCHEMBL9338058 0.83 MAOB (0.66) MAPTMAOAMAOBPOLBRAB9A
SCHEMBL11823920 0.83 MAOB (0.66) MAPTMAOAMAOBPOLBRAB9A
SCHEMBL9778908 0.83 MAPT (0.51) MAPTMAOAMAOBPOLBRAB9A
SCHEMBL9341640 0.82 MAPT (0.64) MAPTTNFRSF1AMAOAMAOBPOLB
SCHEMBL9338542 0.82 CYP1B1 (0.64) NFE2L2MAPTTNFRSF1AMAOAMAOB
SCHEMBL9338041 0.82 NFE2L2 (0.62) NFE2L2MAPTPTGS2MAOAMAOB

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
Send feedback