SCHEMBL9530889

SCHEMBL9530889

CCC(=O)c1cccc(CNC(C)=O)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.70
BRD4 O60885 1/20 0.40
ALOX15 P16050 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADORA2A P29274 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
NR4A1 P22736 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9298306 0.86 NPSR1 (0.68) NPSR1BRD4ALOX15IRAK4RAB9A
SCHEMBL6793428 0.85 NPSR1 (0.77) NPSR1BRD4ALOX15IRAK4RAB9A
Bromide SCHEMBL9297499 0.85 NPSR1 (0.66) NPSR1BRD4ALOX15IRAK4RAB9A
SCHEMBL15926179 0.83 NPSR1 (1.00) NPSR1ALOX15IRAK4RAB9AMAPT
SCHEMBL9598881 0.82 NPSR1 (0.62) NPSR1BRD4ALOX15IRAK4RAB9A
SCHEMBL25139435 0.78 CYP1A2 (0.42) NPSR1BRD4ALOX15MAPTKDM4E
SCHEMBL9298408 0.78 NPSR1 (0.56) NPSR1BRD4RAB9AKDM4ENPC1
SCHEMBL9533171 0.78 NPSR1 (0.64) NPSR1BRD4ALOX15IRAK4RAB9A
SCHEMBL9298650 0.78 NPSR1 (0.47) NPSR1BRD4ALOX15RAB9AKDM4E
SCHEMBL1596880 0.77 CYP1A2 (0.55) NPSR1ALOX15RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575614-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-29 EP disclosed
WO-1992016526-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-01 WO disclosed