SCHEMBL29494399

SCHEMBL29494399

CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 1/20 0.61
KCNB2 Q92953 1/20 0.61
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GFER P55789 1/20 0.49

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
SCHEMBL1321745 0.81
SCHEMBL10357148 0.79 ALDH1A1 (0.69) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL10356571 0.79 ALDH1A1 (0.69) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL10356572 0.79 ALDH1A1 (0.69) ALDH1A1LMNAHSD17B10POLBL3MBTL1
SCHEMBL12461860 0.78 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16348943 0.78 ALDH1A1 (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4212260 0.77 ALDH1A1 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14544618 0.76 ALDH1A1 (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29793705 0.76 KCNB1 (1.00) KCNB1KCNB2KDM4EALDH1A1LMNA
SCHEMBL31001347 0.76 CCNC (0.46)

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

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