SCHEMBL29389092

SCHEMBL29389092

O=C(c1ccc(Cl)cc1)c1nc(-c2ccccc2)c2ccccn12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 15/20 0.65
▸ PPARG P37231 3/20 0.56
▸ MAP2K3 P46734 1/20 0.52
▸ FNTA P49354 1/20 0.51
▸ FNTB P49356 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ EPHB2 P29323 1/20 0.46

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
SCHEMBL25776035 0.90 RORC (0.62) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29389352 0.88 RORC (0.60) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL28711290 0.87 RORC (0.59) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29390070 0.87 RORC (0.59) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29386615 0.86 RORC (0.61) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29386844 0.84 RORC (0.56) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29389090 0.84 RORC (0.56) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29386498 0.84 RORC (0.56) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL29386833 0.84 RORC (0.64) RORCPPARGMAP2K3KDM4EMEN1
SCHEMBL28717881 0.83 RORC (0.60) RORCPPARGMAP2K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109254-A1 METHOD FOR ONE-STEP DIRECT PREPARATION OF 3-ACYL IMIDAZO[1,5-A]PYRIDINE BY MEANS OF [4+1] DUAL AMINATION REACTIONS OF KETOMETHYL 安徽科技学院 2023-06-22 — — WO disclosed
CN-114057737-B Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-08-26 — — CN disclosed
CN-114057737-A Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-02-18 — — CN disclosed
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