SCHEMBL9587863

SCHEMBL9587863

Cc1csc(Oc2ccc(CNC(=O)c3c(C)c(C)nn3C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GALR3 O60755 1/20 0.49
▸ NR2F2 P24468 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK14 Q16539 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ PKM P14618 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38

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
SCHEMBL9474003 0.90 LMNA (0.64) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL9587530 0.82 L3MBTL1 (0.54) SMN1; SMN2LMNAGALR3RAB9AL3MBTL1
SCHEMBL9587380 0.82 L3MBTL1 (0.54) SMN1; SMN2RAB9AL3MBTL1MAPK14HTT
SCHEMBL9587856 0.80 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL9473579 0.77 MAPK14 (0.39) SMN1; SMN2KMT2AL3MBTL1MAPK14HTT
SCHEMBL9474220 0.77 CXCR4 (0.51) SMN1; SMN2LMNAMAPK14HTTCYP3A4
SCHEMBL920314 0.73 ADORA2A (0.42) SMN1; SMN2GALR3NR2F2MAPK14HTT
SCHEMBL9473521 0.73 LMNA (0.63) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL921177 0.72 HPGD (0.49) SMN1; SMN2LMNAKMT2ACYP3A4KDM4E
SCHEMBL920614 0.71 PTGER4 (0.43) SMN1; SMN2GALR3NR2F2MAPK14HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206259-A Insecticides, acaricides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-27 — — US claimed
US-5206259-A Insecticides, acaricides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-27 — — US disclosed
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