SCHEMBL29494480

SCHEMBL29494480

Cc1ccc(NC(=O)CN)cc1C(=O)NCc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ LDLR P01130 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ ATAD2 Q6PL18 1/20 0.37
▸ TERT O14746 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ STAT1 P42224 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
SCHEMBL29494467 0.88 BAZ2B (0.44) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL29494419 0.82 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL29494276 0.72 MEN1 (0.62) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29494344 0.72 BAZ2B (0.49) LMNAALDH1A1NPC1RAB9APOLB
SCHEMBL29494503 0.70 HDAC1 (0.44) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL29494547 0.69 RAB9A (0.48) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL29494509 0.69 NOTUM (0.47) NPC1RAB9AMAPT
SCHEMBL29494535 0.69 KLKB1 (0.49) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL29494461 0.69 BLK (0.50) MEN1KMT2ALMNAALDH1A1BCHE
SCHEMBL22065282 0.66 POLB (0.56) MEN1KMT2ALMNAALDH1A1NPC1

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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