SCHEMBL14020195

SCHEMBL14020195

O=C(O)c1ccccc1C(=O)c1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.54
BCL2 P10415 1/20 0.53
MCL1 Q07820 1/20 0.53
BAD Q92934 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL6319718 0.84 ALDH1A1 (0.66) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL13833772 0.84 HSD17B1 (0.58) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL836745 0.83 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL28727291 0.83 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL28480483 0.83 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL24751 0.81 HSD17B1 (0.62) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL27714204 0.81 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2HPGDPKM
Hydrochloric Acid SCHEMBL3610419 0.81 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2HPGDPKM
Bromide SCHEMBL28862925 0.80 HSD17B1 (0.61) NPC1RAB9ASMN1; SMN2HPGDPKM
SCHEMBL14021104 0.79 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDPKM

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
EP-1688466-B1 Ink composition, ink jet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2008-11-26 EP disclosed