SCHEMBL29494334

SCHEMBL29494334

Cc1ccc(N)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.65
▸ TDP1 Q9NUW8 2/20 0.61
▸ PKM P14618 1/20 0.60
▸ HPGD P15428 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MMP13 P45452 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ MAPT P10636 1/20 0.56

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
SCHEMBL8297224 0.85 MEN1 (0.60) TDP1PKMHPGDMEN1KMT2A
SCHEMBL29494425 0.84 MEN1 (0.64) NPC1TDP1PKMHPGDMEN1
SCHEMBL20830056 0.84 HPGD (0.72) NPC1TDP1PKMHPGDMEN1
SCHEMBL29494276 0.82 MEN1 (0.62) NPC1TDP1PKMHPGDMEN1
SCHEMBL8209522 0.80 TDP1 (0.60) NPC1TDP1PKMHPGDMEN1
SCHEMBL29494232 0.79 HSD17B10 (0.58) NPC1TDP1PKMHPGDMEN1
SCHEMBL2937877 0.79 SMN1; SMN2 (0.70) NPC1TDP1HPGDMEN1KMT2A
SCHEMBL10107753 0.78 ALDH2 (0.73) NPC1TDP1HPGDMEN1KMT2A
SCHEMBL5337652 0.77 ALDH1A1 (0.71) NPC1TDP1HPGDMEN1KMT2A
SCHEMBL8207225 0.77 HPGD (0.60) NPC1TDP1PKMHPGDMEN1

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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