SCHEMBL9587856

SCHEMBL9587856

CSc1ccc(Oc2ccc(CNC(=O)c3c(C)c(C)nn3C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ NR2F2 P24468 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CHRM4 P08173 3/20 0.48
▸ EPHX2 P34913 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ MLLT3 P42568 1/20 0.43
▸ MLLT1 Q03111 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ HPGD P15428 2/20 0.42

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
SCHEMBL9473989 0.89 SMN1; SMN2 (0.68) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL9587518 0.80 L3MBTL1 (0.53) SMN1; SMN2CHRM4EPHX2NR1H4TP53
SCHEMBL9587376 0.80 L3MBTL1 (0.53) SMN1; SMN2CHRM4EPHX2NR1H4TP53
SCHEMBL9587863 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL9473513 0.75 LMNA (0.60) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL9474213 0.75 CHRM4 (0.53) SMN1; SMN2LMNACHRM4EPHX2NR1H4
SCHEMBL9473560 0.74 MAPT (0.43) SMN1; SMN2KMT2ACHRM4EPHX2NR1H4
Tolfenpyrad SCHEMBL26416 0.72 RAB9A (0.57) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL920312 0.72 HPGD (0.50) SMN1; SMN2KMT2ACHRM4EPHX2NR1H4
SCHEMBL6273314 0.70 TP53 (0.52) SMN1; SMN2LMNAKMT2ARAB9AEPHX2

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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