SCHEMBL28577422

SCHEMBL28577422

O=C(O)c1ccccc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ CFTR P13569 4/20 0.56
▸ GPR84 Q9NQS5 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NHERF1 O14745 1/20 0.52
▸ PBRM1 Q86U86 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ CREBBP Q92793 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ GFER P55789 1/20 0.50

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
SCHEMBL21446804 0.87 ALDH1A1 (0.67) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL11924915 0.86 RAB9A (0.70) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL20567854 0.85 NPC1 (0.68) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL28579575 0.85 NPC1 (0.72) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL27075304 0.84 NPC1 (0.68) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL1308599 0.84 CDK2 (0.61) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL1307650 0.84 NHERF1 (0.61) MEN1KMT2ANPC1NHERF1
SCHEMBL8258111 0.82 MEN1 (0.65) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL20567514 0.82 NPC1 (0.65) MEN1KMT2ANPC1CFTRGPR84
SCHEMBL31010176 0.82 NPC1 (0.65) MEN1KMT2ANPC1CFTRGPR84

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
CN-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 — — CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 — — CN disclosed
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