SCHEMBL11221145

SCHEMBL11221145

CCCCCC(=O)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.64
HTR1A P08908 1/20 0.64
KDM4E B2RXH2 3/20 0.63
USP2 O75604 3/20 0.63
CYP2C9 P11712 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63
PTGS2 P35354 1/20 0.63
BLM P54132 1/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
MAPK1 P28482 1/20 0.62
LMNA P02545 3/20 0.61
HTR2B P41595 1/20 0.61
MAPT P10636 10/20 0.60
TP53 P04637 5/20 0.60

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
SCHEMBL9132440 0.97 PTGS1 (0.65) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL9132189 0.93 PTGS1 (0.67) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL11010744 0.90 LMNA (0.61) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL10817835 0.90 LMNA (0.61) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL11913999 0.89 PTGS1 (0.68) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL10375581 0.89 PTGS1 (0.67) PTGS1HTR1AKDM4EUSP2CYP2C9
Hydrochloric Acid SCHEMBL2586426 0.88 PTGS1 (0.61) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL10813283 0.88 LMNA (0.75) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL11038084 0.88 PTGS1 (0.66) PTGS1HTR1AKDM4EUSP2CYP2C9
SCHEMBL11224348 0.88 PTGS1 (0.66) PTGS1HTR1AKDM4EUSP2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309427-A ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1982-01-05 US disclosed