SCHEMBL29494232

SCHEMBL29494232

Cc1ccc(NC(=O)[C@@H](N)CN)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ NPY1R P25929 1/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.51
▸ PKM P14618 2/20 0.50
▸ HPGD P15428 4/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAPT P10636 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
SCHEMBL29494276 0.86 MEN1 (0.62) HSD17B10MEN1KMT2ANPC1ALDH1A1
SCHEMBL29494425 0.86 MEN1 (0.64) HSD17B10MEN1KMT2ANPC1ALDH1A1
SCHEMBL29494334 0.79 NPC1 (0.65) MEN1KMT2ANPC1ALDH1A1TDP1
SCHEMBL20830056 0.76 HPGD (0.72) MEN1KMT2ANPC1ALDH1A1TDP1
SCHEMBL29494528 0.74 BLK (0.47) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL29494470 0.74 METTL3 (0.43) MEN1KMT2AMAPT
SCHEMBL14368079 0.72 HPGD (0.76) HSD17B10MEN1KMT2AALDH1A1TDP1
SCHEMBL8209522 0.72 TDP1 (0.60) HSD17B10MEN1KMT2ANPC1ALDH1A1
SCHEMBL29494485 0.71 KCNH2 (0.45) NPC1ALDH1A1HPGDRAB9AMAPT
SCHEMBL29494565 0.70 KCNB1 (0.46) MEN1KMT2ANPC1ALDH1A1TDP1

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
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