SCHEMBL8552036

SCHEMBL8552036

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 15/20 0.48
VCP P55072 3/20 0.46
EGFR P00533 2/20 0.43
ABL1 P00519 1/20 0.43
ABL2 P42684 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8642563 1.00 FBP1 (0.48) FBP1VCPEGFRABL1ABL2
SCHEMBL11034872 0.79 FBP1 (0.50) FBP1VCPEGFRABL1ABL2
SCHEMBL3272796 0.79 MAPT (0.43) ALDH1A1MAPT
SCHEMBL9004983 0.79 MAPT (0.43) ALDH1A1MAPT
SCHEMBL8138642 0.78 FBP1 (0.48) FBP1VCPEGFRABL1ABL2
SCHEMBL8138639 0.78 FBP1 (0.48) FBP1VCPEGFRABL1ABL2
SCHEMBL1225186 0.74 MAPT (0.46) ALDH1A1MAPTLMNA
SCHEMBL1225185 0.74 MAPT (0.46) ALDH1A1MAPTLMNA
SCHEMBL9779324 0.71 MAOB (0.59) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9779320 0.71 MAOB (0.59) ALDH1A1MAPTLMNASMN1; SMN2

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-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP disclosed
US-5763470-A Benzopyran compounds and methods for their use SUGEN INC. (US) 1998-06-09 US disclosed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP disclosed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 WO disclosed