SCHEMBL29494535

SCHEMBL29494535

Cc1ccc(NC(=O)CN)cc1C(=O)NCc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.49
▸ KLK1 P06870 1/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AGPAT2 O15120 1/20 0.47
▸ EPHX2 P34913 5/20 0.46
▸ ALOX5 P09917 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43

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
SCHEMBL29494496 0.89 MAPT (0.50) KLKB1KLK1MEN1KMT2AMAPT
SCHEMBL29494549 0.87 KLKB1 (0.49) KLKB1KLK1MEN1KMT2AMAPT
SCHEMBL29494486 0.83 KLKB1 (0.52) KLKB1KLK1MEN1KMT2AMAPT
SCHEMBL29494503 0.82 HDAC1 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29494547 0.81 RAB9A (0.48) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL29494461 0.74 BLK (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2939268 0.71 HPGD (0.64) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL29838366 0.71 HPGD (0.63) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL29494552 0.71 ADORA2A (0.43) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL15195531 0.70 HPGD (0.60) MEN1KMT2AMAPTALDH1A1NPC1

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-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 — — WO disclosed
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