SCHEMBL21394701

SCHEMBL21394701

Cc1cc(C(=O)Nc2ccc(Cc3ccc(F)c(C#N)c3)cn2)nn(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.41
FSCN1 Q16658 1/20 0.40
GRM4 Q14833 1/20 0.38
GPR6 P46095 1/20 0.37
RAB9A P51151 3/20 0.36
GRM5 P41594 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RIPK1 Q13546 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL21395130 0.89 NPC1 (0.40) CACNA1HRAB9AGRM5NPC1SMN1; SMN2
SCHEMBL21394742 0.87 MAPT (0.44) CACNA1HFSCN1GRM4GPR6RAB9A
SCHEMBL21394693 0.85 SIRT2 (0.37) GRM5RIPK1SIRT2
SCHEMBL21395129 0.84 GRM5 (0.40) RAB9AGRM5NPC1SMN1; SMN2KDM4E
SCHEMBL22479679 0.83 NPC1 (0.42) RAB9AGRM5NPC1SMN1; SMN2L3MBTL1
SCHEMBL29353664 0.80 GRM4 (0.43) CACNA1HGRM4GPR6RAB9AGRM5
SCHEMBL21395200 0.80 GRM4 (0.43) CACNA1HGRM4GPR6RAB9AGRM5
SCHEMBL21395028 0.79 MAPT (0.45) CACNA1HRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL21394959 0.79 TMPRSS4 (0.49) GRM4SIRT2
SCHEMBL21395011 0.78 GRM4 (0.43) CACNA1HGRM4SIRT2

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