SCHEMBL9753843

SCHEMBL9753843

O=C1Nc2cc(C(F)(F)F)cnc2C1C(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 3/20 0.36
ABL1 P00519 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
TRPA1 O75762 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL27358634 0.90 RAB9A (0.34) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8657521 0.85 ABL1 (0.37) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8654692 0.83 MEN1 (0.39) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8656102 0.77 ALDH1A1 (0.40) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL27370288 0.75 NPC1 (0.35) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8658267 0.74 KDM4E (0.39) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8657501 0.74 MAPT (0.35) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8654023 0.73 ALDH1A1 (0.35) RAB9AKDM4EALDH1A1MAPTPOLB
Formanilide SCHEMBL27354436 0.73 ALDH1A1 (0.35) RAB9AKDM4EALDH1A1MAPTPOLB
SCHEMBL8656564 0.71 TDP1 (0.41) RAB9AKDM4EALDH1A1MAPTPOLB

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
WO-1991009598-A1 AZAOXINDOLE DERIVATIVES PFIZER INC. (US) 1991-07-11 WO disclosed