SCHEMBL21394744

SCHEMBL21394744

Cn1nc(C(=O)Nc2ccc(COc3cc(Cl)cc(C#N)c3)cn2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MAPT P10636 2/20 0.40
GCK P35557 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL21394741 0.87 L3MBTL1 (0.55) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL21395122 0.86 L3MBTL1 (0.43) L3MBTL1MEN1KMT2ASIRT2MAPT
SCHEMBL22479581 0.84 MEN1 (0.50) L3MBTL1MEN1KMT2AMAPTGCK
SCHEMBL21394399 0.83 KMT2A (0.47) L3MBTL1MEN1KMT2AMAPTGCK
SCHEMBL21395027 0.82 L3MBTL1 (0.44) L3MBTL1CYP3A4MEN1KMT2AMAPT
SCHEMBL21395194 0.81 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21395033 0.81 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21394735 0.79 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL29357585 0.79 ALDH1A1 (0.41) L3MBTL1MEN1KMT2ASIRT2MAPT
SCHEMBL21394631 0.78 L3MBTL1 (0.44) L3MBTL1CYP3A4MEN1KMT2AMAPT

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