SCHEMBL20937441

SCHEMBL20937441

C=C(CC(C)(C)C)Nc1cc(C(=O)OCC)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
RAB9A P51151 2/20 0.42
THRB P10828 1/20 0.42
PDPK1 O15530 1/20 0.42
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SLC2A1 P11166 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 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
SCHEMBL3937264 0.80 LMNA (0.53) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL20937443 0.80 LMNA (0.48) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL20937928 0.80 ADORA3 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30276208 0.80 LMNA (0.48) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL12852739 0.77 MEN1 (0.51) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL18773577 0.74 CA12 (0.62) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL1424853 0.73 MEN1 (0.48) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL30276226 0.72 CA12 (0.43) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL28404175 0.72 CA12 (0.43) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL18258941 0.72 HTT (0.46) LMNAHTTMEN1KMT2ARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019077631-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-04-25 WO disclosed