SCHEMBL22945007

SCHEMBL22945007

Cn1cnnc1SCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21212214 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL22945847 0.80 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL11367382 0.79 NPC1 (0.49) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL21212315 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL11511488 0.74 LMNA (0.43) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL22497308 0.74 LMNA (0.43) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL22497309 0.74 LMNA (0.43) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL22944664 0.74 CBLB (0.55) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL4197148 0.73 NPC1 (0.81) NPC1RAB9APOLBLMNAKMT2A
SCHEMBL23294109 0.73 POLB (0.42) ALDH1A1NPC1RAB9AKDM4EPOLB

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
WO-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed