SCHEMBL31662941

SCHEMBL31662941

O=Cc1ccc(-c2nc(-c3ccccc3)no2)cc1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
HSD17B10 Q99714 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
NR1H4 Q96RI1 3/20 0.47
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
S1PR1 P21453 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL28060611 0.80 DRD1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL31662821 0.80 ENPP3 (0.44) MEN1KMT2ANPSR1
SCHEMBL31663025 0.78 ENPP3 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL31663217 0.78 ALOX15 (0.50) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL31662950 0.75 ALOX15 (0.50) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL13417339 0.70 NPC1 (0.77) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL28060621 0.70 DRD1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL31662882 0.70 DRD1 (0.40) SMN1; SMN2ALDH1A1TP53CYP1A2TSHR
SCHEMBL31663072 0.70 PDE4D (0.41) NPSR1
SCHEMBL13415309 0.69 NR1H4 (0.80) NPC1RAB9AHSD17B10KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149498-A1 BENZYLPIPERIDINE DERIVATIVES AS TRP4 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2025-07-17 WO disclosed