SCHEMBL29494496

SCHEMBL29494496

CC(=O)Nc1ccc(C)c(C(=O)NCc2nc3ccccc3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ EPHX2 P34913 5/20 0.48
▸ ALOX5 P09917 4/20 0.48
▸ TP53 P04637 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LDHA P00338 1/20 0.46

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
SCHEMBL29494535 0.89 KLKB1 (0.49) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL29494549 0.85 KLKB1 (0.49) MAPTMEN1KMT2ATRPV1EPHX2
SCHEMBL29494486 0.84 KLKB1 (0.52) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL29494530 0.80 NPC1 (0.51) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL7548867 0.75 EPHX2 (0.81) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL7543433 0.74 EPHX2 (0.64) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL2939268 0.73 HPGD (0.64) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL29838366 0.73 HPGD (0.63) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7542517 0.73 EPHX2 (0.62) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7548719 0.73 ALOX5 (0.68) MAPTKDM4ERAB9AMEN1KMT2A

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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