SCHEMBL11034872

SCHEMBL11034872

O=[N+]([O-])C=Cc1csc(C=C[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 16/20 0.50
EGFR P00533 2/20 0.44
ABL1 P00519 1/20 0.44
ABL2 P42684 1/20 0.44
VCP P55072 3/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL792983 0.81 FBP1 (0.41) FBP1EGFRABL1ABL2VCP
SCHEMBL792984 0.81 FBP1 (0.41) FBP1EGFRABL1ABL2VCP
SCHEMBL8138642 0.79 FBP1 (0.48) FBP1EGFRABL1ABL2VCP
SCHEMBL8138639 0.79 FBP1 (0.48) FBP1EGFRABL1ABL2VCP
SCHEMBL1866963 0.79 FBP1 (0.47) FBP1EGFRABL1ABL2VCP
SCHEMBL1363276 0.79 FBP1 (0.47) FBP1EGFRABL1ABL2VCP
SCHEMBL17713675 0.79 FBP1 (0.47) FBP1EGFRABL1ABL2VCP
SCHEMBL8552036 0.79 FBP1 (0.48) FBP1EGFRABL1ABL2VCP
SCHEMBL1363279 0.79 FBP1 (0.47) FBP1EGFRABL1ABL2VCP
SCHEMBL1866964 0.79 FBP1 (0.47) FBP1EGFRABL1ABL2VCP

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
JP-59084882-A None JP disclosed
JP-S5984882-A DI(NITROETHENYL)THIOPHENE KANAGAWAKEN 1984-05-16 JP disclosed