SCHEMBL22945847

SCHEMBL22945847

Cn1cnnc1SCc1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
HTT P42858 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL22945007 0.80 ALDH1A1 (0.59) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL21212214 0.79 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL22944650 0.77 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4ENPC1HTT
SCHEMBL21212271 0.76 CBLB (0.71) ALDH1A1KDM4EMAPTPOLB
SCHEMBL21212370 0.76 CBLB (0.51) ALDH1A1RAB9AKDM4ENPC1KMT2A
SCHEMBL21212315 0.75 ALDH1A1 (0.52) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL21211819 0.75 CBLB (0.66) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL22944651 0.73 CBLB (0.71) ALDH1A1
SCHEMBL22944920 0.73 CBLB (0.71) ALDH1A1
SCHEMBL6347118 0.71 SMN1; SMN2 (0.60) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2

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