SCHEMBL9342014

SCHEMBL9342014

CCc1ccc(C=CC(=S)c2ccc(CC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ LMNA P02545 5/20 0.48
▸ MAOA P21397 3/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL9341575 0.92 MAOB (0.46) MAOBSMN1; SMN2LMNAMAOAALOX5
SCHEMBL9338384 0.91 MAOB (0.51) MAOBSMN1; SMN2LMNAMAOAMAPT
SCHEMBL9342248 0.89 BCHE (0.44) MAOBSMN1; SMN2LMNAMAOAPTGS2
SCHEMBL9342772 0.89 THRA (0.44) MAOBSMN1; SMN2LMNAPLK1
SCHEMBL9342270 0.88 SMN1; SMN2 (0.46) MAOBSMN1; SMN2LMNAMAOAALOX5
SCHEMBL9338105 0.88 CYP2A6 (0.54) MAOBSMN1; SMN2LMNAMAOAMAPT
SCHEMBL9341461 0.88 PLA2G1B (0.47) TDP1RECQLCYP1A2
SCHEMBL9338240 0.87 THRA (0.49) KMT2AMEN1TDP1RECQLCYP1A2
SCHEMBL9341512 0.86 MAOA (0.46) MAOBSMN1; SMN2LMNAMAOAALOX5
SCHEMBL9341522 0.86 ALOX5 (0.49) MAOBSMN1; SMN2LMNAMAOAALOX5

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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