SCHEMBL8558464

SCHEMBL8558464

O=C(Nc1nc(-c2ccccc2)c(N2CCCCC2)s1)c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
APP P05067 1/20 0.44
EGFR P00533 3/20 0.43
PIK3CA P42336 3/20 0.43
IDO1 P14902 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8562358 0.81 NPC1 (0.56) SMN1; SMN2NPC1LMNARAB9AKDM4E
SCHEMBL8557413 0.80 NPC1 (0.55) SMN1; SMN2NPC1LMNARAB9AKDM4E
SCHEMBL8555910 0.79 TRPV4 (0.47) TRPV4SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8559376 0.77 RAB9A (0.54) SMN1; SMN2NPC1LMNARAB9AKDM4E
SCHEMBL8556757 0.73 MEN1 (0.66) SMN1; SMN2LMNAKDM4EHSD17B10HPGD
SCHEMBL8557533 0.73 NPC1 (0.46) SMN1; SMN2NPC1LMNARAB9AKDM4E
SCHEMBL8557539 0.72 TRPV4 (0.46) TRPV4SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8561965 0.71 NPC1 (0.52) TRPV4SMN1; SMN2NPC1LMNARAB9A
SCHEMBL8561960 0.71 NPC1 (0.52) SMN1; SMN2NPC1LMNARAB9AEGFR
SCHEMBL23111889 0.69 KDM4E (0.63) SMN1; SMN2NPC1LMNARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518731-B1 2-(Indol-2-yl-carbonylamino)-thiazole derivatives, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-08-26 EP disclosed
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed
EP-0518731-A1 Heterocyclic derivatives of substituted 2-acylamino 5-thiazole, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-12-16 EP disclosed