SCHEMBL29494470

SCHEMBL29494470

Cc1ccc(NC(=O)[C@@H](N)CN)cc1C(=O)NCc1cc2ccccn2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ METTL14 Q9HCE5 1/20 0.43
▸ KCNB1 Q14721 4/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ CASR P41180 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KLKB1 P03952 2/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL29494232 0.74 HSD17B10 (0.58) MAPTMEN1KMT2A
SCHEMBL29494485 0.74 KCNH2 (0.45) KCNB1MAPTKCNH2CASRBCHE
SCHEMBL29494565 0.73 KCNB1 (0.46) KCNB1MAPTKCNH2CASRBCHE
SCHEMBL29494549 0.72 KLKB1 (0.49) KCNB1MAPTKCNH2KLKB1KLK1
SCHEMBL29494528 0.72 BLK (0.47) KCNB1MAPTKCNH2BCHEKCNA5
SCHEMBL29494527 0.69 — —
SCHEMBL29494285 0.69 — —
SCHEMBL28714757 0.62 HSD17B10 (0.56) TP53MEN1KMT2A
SCHEMBL29410408 0.62 MAPT (0.56) MAPTKDM4E
SCHEMBL28717992 0.62 MAPT (0.56) MAPTKDM4E

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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