SCHEMBL9313620

SCHEMBL9313620

COc1cc(NS)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
STAT1 P42224 1/20 0.39
CHRNA7 P36544 1/20 0.36

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
SCHEMBL13600415 0.81 NPC1 (0.47) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL9685860 0.79 CYP2C19 (0.50) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL24128114 0.78 NPC1 (0.45) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL29250306 0.77 CYP2C19 (0.46) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL1478401 0.77 CYP2C19 (0.48) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL12883348 0.76 NPC1 (0.44) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL12411077 0.76 NPC1 (0.44) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL8346152 0.76 CYP2C19 (0.44) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL6386093 0.74 CYP2C19 (0.47) NPC1RAB9AKDM4EMAPTCYP2C19
SCHEMBL12933375 0.73 HRH4 (0.50) NPC1RAB9AKDM4EMAPTCYP2C19

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
US-5354563-A Water dispersion containing ultrafine particles of organic compounds RESEARCH DEVELOPMENT CORP. OF JAPAN (JP) 1994-10-11 US disclosed
EP-0209403-B1 PROCESS FOR PREPARING ULTRAFINE PARTICLES OF ORGANIC COMPOUNDS Research Development Corporation of Japan (JP) 1991-10-23 EP disclosed
US-4913865-A Process for preparing ultrafine particles of organic compounds RESEARCH DEVELOPMENT CORP OF JAPAN (JP) 1990-04-03 US disclosed
EP-0209403-A2 Process for preparing ultrafine particles of organic compounds Research Development Corporation of Japan (JP) 1987-01-21 EP disclosed