SCHEMBL21394844

SCHEMBL21394844

Cc1nccc(NC(=O)c2ccc(Cc3cccc(F)c3)cn2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.47
GRM5 P41594 5/20 0.47
SORT1 Q99523 4/20 0.45
NR3C2 P08235 1/20 0.45
GPR52 Q9Y2T5 1/20 0.43
RET P07949 1/20 0.43
ANO1 Q5XXA6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RIPK1 Q13546 1/20 0.39

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
SCHEMBL29442866 1.00 SNCA (0.47) SNCAGRM5SORT1NR3C2GPR52
SCHEMBL21394865 0.88 NR3C2 (0.47) SNCAGRM5NR3C2GPR52ANO1
SCHEMBL29358065 0.88 NR3C2 (0.47) SNCAGRM5NR3C2GPR52ANO1
SCHEMBL21394614 0.87 MEN1 (0.48) SNCAGRM5SORT1NR3C2GPR52
SCHEMBL21394734 0.82 NR3C2 (0.49) SNCANR3C2GPR52RETANO1
SCHEMBL29442811 0.82 SNCA (0.48) SNCAGRM5NR3C2GPR52RET
SCHEMBL21394469 0.82 SNCA (0.48) SNCAGRM5NR3C2GPR52RET
SCHEMBL29442876 0.80 NR3C2 (0.44) GRM5SORT1NR3C2GPR52ANO1
SCHEMBL21395171 0.80 NPC1 (0.47) SNCAGRM5NR3C2RETNPC1
SCHEMBL21394764 0.80 NPC1 (0.50) SNCAGRM5RETNPC1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
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