SCHEMBL11101232

SCHEMBL11101232

C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.62
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
APP P05067 1/20 0.46
MAOB P27338 4/20 0.44
MAOA P21397 2/20 0.44
CES1 P23141 1/20 0.44
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
BCHE P06276 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GLO1 Q04760 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11101235 1.00 FBP1 (0.62) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL28313969 0.86 FBP1 (0.56) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL17009045 0.84 AKR1C3 (0.58) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL52681 0.84 AKR1C3 (0.58) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL481147 0.84 AKR1C3 (0.58) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL8009563 0.83 MAPT (0.60) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9065473 0.83 MAPT (0.60) FBP1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL11100277 0.81 GLO1 (0.68) FBP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11100274 0.81 GLO1 (0.68) FBP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28568320 0.80 FBP1 (0.50) FBP1ALDH1A1MAPK1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047119-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION, AND INTERMEDIATES USEFUL THEREIN PFIZER INC. (US) 1984-05-09 EP disclosed
EP-0050977-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS AND A PROCESS FOR PRODUCING SAME PFIZER INC. (US) 1983-09-14 EP disclosed
US-4343813-A ANTIANAPHYLACTIC AGENTS PFIZER INC. (US) 1982-08-10 US disclosed
US-4331683-A SENSITIZATION, ANTIALLERGENS PFIZER INC. (US) 1982-05-25 US disclosed
EP-0050977-A1 Carboxamide compounds as SRS-A antagonists and a process for producing same PFIZER INC. (US) 1982-05-05 EP disclosed
EP-0047119-A1 Carboxamide compounds as SRS-A antagonists, pharmaceutical compositions containing them, processes for the preparation, and intermediates useful therein PFIZER INC. (US) 1982-03-10 EP disclosed
US-4296120-A ANTIANAPHYLACTIC PFIZER INC. (US) 1981-10-20 US disclosed
US-4296129-A ANTIAASTHMATIC INHIBITOR OF SLOW-REACTING SUBSTANCE OF ANAPHYLAXIS PFIZER, INC. (US) 1981-10-20 US disclosed
US-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 US disclosed