SCHEMBL21394614

SCHEMBL21394614

Cc1nccc(NC(=O)c2ccc(Cc3cccc(F)c3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR3C2 P08235 1/20 0.46
SORT1 Q99523 4/20 0.45
GPR52 Q9Y2T5 1/20 0.45
GRM5 P41594 1/20 0.44
LMNA P02545 1/20 0.44
SNCA P37840 3/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RY14 Q15391 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL21394844 0.87 SNCA (0.47) MEN1KMT2ANR3C2SORT1GPR52
SCHEMBL29442866 0.87 SNCA (0.47) MEN1KMT2ANR3C2SORT1GPR52
SCHEMBL29442876 0.82 NR3C2 (0.44) MEN1KMT2ANR3C2SORT1GPR52
SCHEMBL21394865 0.80 NR3C2 (0.47) NR3C2GPR52GRM5SNCANPC1
SCHEMBL29358065 0.80 NR3C2 (0.47) NR3C2GPR52GRM5SNCANPC1
SCHEMBL21394763 0.76 NPC1 (0.51) MEN1KMT2ANPC1TP53PKM
SCHEMBL29355382 0.76 NPC1 (0.51) MEN1KMT2ANPC1TP53PKM
SCHEMBL21394696 0.75 RAB9A (0.52) MEN1KMT2ANR3C2LMNAKDM5A
SCHEMBL21394488 0.73 MEN1 (0.48) MEN1KMT2ASNCANPC1TP53
SCHEMBL14009842 0.72 CDC7 (0.52)

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