SCHEMBL29494467

SCHEMBL29494467

CC(=O)Nc1ccc(C)c(C(=O)NCc2c3c(cc4c2CCC4)CCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ STAT1 P42224 1/20 0.38

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
SCHEMBL29494480 0.88 MEN1 (0.42) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29494344 0.84 BAZ2B (0.49) BAZ2BPOLBMAPK14LCKSMN1; SMN2
SCHEMBL29494419 0.82 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1673429 0.68 BAZ2B (0.69) BAZ2BPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL29494530 0.68 NPC1 (0.51) POLBMAPK14LCKMEN1KMT2A
SCHEMBL6866811 0.67 NLRP3 (0.57) BAZ2BSMN1; SMN2ALDH1A1NLRP3
SCHEMBL14211464 0.67 POLB (0.54) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25832722 0.65 NLRP3 (0.51) NLRP3
SCHEMBL18737818 0.65 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL18617653 0.65 MMP13 (0.56) POLBMEN1KMT2ASMN1; SMN2MAPT

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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