SCHEMBL10639775

SCHEMBL10639775

COC(=O)NN=C(C)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.56
LMNA P02545 5/20 0.56
HTT P42858 5/20 0.56
MAPT P10636 5/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.46
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
SENP8 Q96LD8 1/20 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
SCHEMBL1483376 0.76 ALDH1A1 (0.55) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL9557865 0.76 ATM (0.48) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL1937600 0.73 LMNA (0.54) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL9559030 0.71 ATM (0.54) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL14364100 0.70 HTT (0.54) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL11608228 0.69 CYP1A2 (0.77) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL10639764 0.69 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL3268354 0.69 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTMAPTKDM4E
SCHEMBL218867 0.68 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL23529356 0.67 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTMAPTALDH1A1

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
EP-0172031-B1 NOVEL SULFENYLATED ACYLHYDRAZONES, COMPOSITIONS CONTAINING THEM, METHODS OF MAKING THEM AND THEIR USE ROHM AND HAAS COMPANY (US) 1988-05-18 EP disclosed
EP-0172031-A1 Novel sulfenylated acylhydrazones, compositions containing them, methods of making them and their use ROHM AND HAAS COMPANY (US) 1986-02-19 EP disclosed