SCHEMBL6571813

SCHEMBL6571813

Cc1ccsc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL3776154 0.78 NOTUM (0.39) NOTUMALDH1A1NPC1RAB9AMEN1
SCHEMBL3473289 0.78 NOTUM (0.39) NOTUMALDH1A1NPC1RAB9AMEN1
SCHEMBL21484254 0.74 LMNA (0.37) NOTUMALDH1A1NPC1RAB9AMEN1
SCHEMBL21484255 0.74 ALDH1A1 (0.39) NOTUMALDH1A1NPC1MEN1KMT2A
SCHEMBL23413515 0.73 KMT2A (0.50) NOTUMALDH1A1MEN1KMT2AKDM4E
SCHEMBL14886148 0.72 MAPK8 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3789510 0.71 ALDH1A1 (0.41) ALDH1A1RAB9AMEN1KMT2AKDM4E
SCHEMBL3662718 0.70 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL31589340 0.68 MAPK1 (0.44) NOTUMALDH1A1NPC1RAB9AMEN1
SCHEMBL156897 0.67 POLB (0.47) NOTUMALDH1A1NPC1RAB9AMEN1

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-0805148-B1 BENZAMIDOXIME DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND AGROHORTICULTURAL BACTERICIDE NIPPON SODA CO (JP) 2004-09-22 EP disclosed