SCHEMBL9494438

SCHEMBL9494438

NC(=O)C1=CC=CN(Nc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
EPHX2 P34913 2/20 0.40
BCAT2 O15382 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
IDO1 P14902 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTT P42858 2/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
SLC2A1 P11166 1/20 0.38
MAPT P10636 3/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 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
SCHEMBL9498587 0.88 CBS (0.41) EPHX1EPHX2GAAMEN1NPC1
SCHEMBL9499230 0.78 TSHR (0.39) GAAMEN1NPC1KMT2AALDH1A1
SCHEMBL9498421 0.77
SCHEMBL9496918 0.76 KMT2A (0.42) MEN1NPC1KMT2AALDH1A1RAB9A
SCHEMBL5252939 0.76 RAB9A (0.45) MEN1NPC1KMT2AALDH1A1RAB9A
SCHEMBL5253142 0.75 MEN1 (0.43) MEN1NPC1KMT2AALDH1A1RAB9A
SCHEMBL9494535 0.74 KDM4E (0.31) MEN1KMT2AKDM4E
SCHEMBL9494589 0.71 NPC1 (0.45) GAAMEN1NPC1KMT2AALDH1A1
SCHEMBL9494442 0.68 NPC1 (0.40) EPHX1EPHX2BCAT2GAAMEN1
SCHEMBL9495344 0.67 TP53 (0.33) EPHX1EPHX2GAAMEN1NPC1

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed