SCHEMBL21394734

SCHEMBL21394734

CNC(=O)c1ccnc(NC(=O)c2ccc(Cc3cccc(F)c3)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
SNCA P37840 1/20 0.47
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
PKM P14618 3/20 0.43
TP53 P04637 3/20 0.43
GPR52 Q9Y2T5 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SCD O00767 1/20 0.41
GSK3B P49841 2/20 0.41
RET P07949 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL21394678 0.89 NPC1 (0.49) NR3C2KDM5AKDM4CKDM5BSNCA
SCHEMBL21394844 0.82 SNCA (0.47) NR3C2SNCANPC1RAB9ASMN1; SMN2
SCHEMBL29442866 0.82 SNCA (0.47) NR3C2SNCANPC1RAB9ASMN1; SMN2
SCHEMBL21395148 0.79 RAB9A (0.45) NR3C2KDM5AKDM4CKDM5BSNCA
SCHEMBL29442811 0.79 SNCA (0.48) NR3C2SNCANPC1RAB9ASMN1; SMN2
SCHEMBL21394469 0.79 SNCA (0.48) NR3C2SNCANPC1RAB9ASMN1; SMN2
SCHEMBL29358085 0.78 NPC1 (0.48) SNCANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394658 0.78 NPC1 (0.48) SNCANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394865 0.77 NR3C2 (0.47) NR3C2SNCANPC1RAB9ASMN1; SMN2
SCHEMBL29358065 0.77 NR3C2 (0.47) NR3C2SNCANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed