SCHEMBL21394743

SCHEMBL21394743

N#Cc1cc(Cl)cc(Cc2ccc(NC(=O)c3ccnnc3)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
TMPRSS4 Q9NRS4 1/20 0.43
F10 P00742 8/20 0.43
CYP3A4 P08684 1/20 0.42
DEGS1 O15121 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL21395023 0.88 DEGS1 (0.40) SIRT2CYP3A4DEGS1
SCHEMBL21395154 0.82 TMPRSS4 (0.44) SIRT2TMPRSS4F10CYP3A4DEGS1
SCHEMBL21395150 0.81 TMPRSS4 (0.43) SIRT2TMPRSS4F10CYP3A4DEGS1
SCHEMBL21394648 0.80 SIRT2 (0.43) SIRT2TMPRSS4F10CYP3A4DEGS1
SCHEMBL21394654 0.79 WNT3A (0.44) F10DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL21394650 0.78 PARP1 (0.41) F10DEGS1SMN1; SMN2NPC1RAB9A
SCHEMBL21395122 0.77 L3MBTL1 (0.43) SIRT2TMPRSS4F10SMN1; SMN2NPC1
SCHEMBL29356885 0.77 RAB9A (0.41) SIRT2TMPRSS4F10CYP3A4SMN1; SMN2
SCHEMBL21395110 0.77 RAB9A (0.41) SIRT2TMPRSS4F10CYP3A4SMN1; SMN2
SCHEMBL21394952 0.74 KCNQ3 (0.44) SIRT2CYP3A4DEGS1

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