SCHEMBL21394631

SCHEMBL21394631

COc1cc(Cl)cc(Cc2ccc(NC(=O)c3ccc(=O)n(C)n3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 1/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
KLKB1 P03952 1/20 0.37
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 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
SCHEMBL29356856 0.88 ALDH1A1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL21394640 0.88 ALDH1A1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL29357041 0.87 L3MBTL1 (0.46) L3MBTL1GRM5RAB9ASMN1; SMN2NPC1
SCHEMBL21394626 0.87 L3MBTL1 (0.46) L3MBTL1GRM5RAB9ASMN1; SMN2NPC1
SCHEMBL21394598 0.86 L3MBTL1 (0.56) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL29354586 0.84 L3MBTL1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL21394587 0.84 L3MBTL1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL21394760 0.84 L3MBTL1 (0.47) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR
SCHEMBL21394762 0.84 RAB9A (0.43) L3MBTL1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL21395122 0.84 L3MBTL1 (0.43) L3MBTL1RAB9ASMN1; SMN2NPC1TSHR

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