SCHEMBL8551495

SCHEMBL8551495

O=[N+]([O-])/C=C/c1ccn(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.47
HSP90AA1 P07900 4/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2C9 P11712 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
TLR4 O00206 3/20 0.40
TLR2 O60603 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL8642464 1.00 FBP1 (0.47) FBP1HSP90AA1NPC1HTTMAPT
SCHEMBL27884173 0.75 MAP4K4 (0.49) NPC1HTTMAPTMEN1KMT2A
SCHEMBL1060286 0.74 P2RX7 (0.56) NPC1HTTMAPTMEN1KMT2A
SCHEMBL17261502 0.74 NPC1 (0.53) NPC1HTTMAPTMEN1KMT2A
SCHEMBL17261501 0.74 NPC1 (0.53) NPC1HTTMAPTMEN1KMT2A
SCHEMBL8551772 0.73 FBP1 (0.42) FBP1HSP90AA1HTTMAPTMEN1
SCHEMBL8638984 0.73 FBP1 (0.42) FBP1HSP90AA1HTTMAPTMEN1
SCHEMBL7114840 0.71 F2 (0.53) HSP90AA1NPC1HTTMAPTMEN1
SCHEMBL6528301 0.71 GAA (0.43) NPC1HTTMAPTMEN1KMT2A
SCHEMBL6528299 0.71 GAA (0.43) NPC1HTTMAPTMEN1KMT2A

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