SCHEMBL21394765

SCHEMBL21394765

Cn1nc(NC(=O)c2ccc(Cc3cccc(Cl)c3)nn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
ENPP2 Q13822 1/20 0.40
GRM5 P41594 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VNN1 O95497 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1C Q13936 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
P2RY14 Q15391 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL29356767 0.92 L3MBTL1 (0.47) L3MBTL1TSHRHTTENPP2GRM5
SCHEMBL21394600 0.92 L3MBTL1 (0.47) L3MBTL1TSHRHTTENPP2GRM5
SCHEMBL21384407 0.84 L3MBTL1 (0.43) L3MBTL1TSHRHTTGRM5MEN1
SCHEMBL29356947 0.84 L3MBTL1 (0.43) L3MBTL1TSHRHTTGRM5MEN1
SCHEMBL29357829 0.82 ALDH1A1 (0.40) VNN1MAPTALDH1A1RAB9ALMNA
SCHEMBL21394769 0.82 ALDH1A1 (0.40) VNN1MAPTALDH1A1RAB9ALMNA
SCHEMBL29353756 0.82 SMN1; SMN2 (0.41) L3MBTL1TSHRVNN1MAPTALDH1A1
SCHEMBL21394511 0.82 SMN1; SMN2 (0.41) L3MBTL1TSHRVNN1MAPTALDH1A1
SCHEMBL21384174 0.82 MET (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL29357023 0.82 MET (0.44) MEN1KMT2AMAPTALDH1A1RAB9A

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