SCHEMBL28713535

SCHEMBL28713535

Cc1ccccc1C(=O)c1nc(-c2ccccc2)c2ccccn12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 17/20 0.58
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MAP2K3 P46734 1/20 0.52
▸ PPARG P37231 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
SCHEMBL18086801 0.92 RORC (0.71) RORCMAP2K3PPARG
SCHEMBL18086809 0.86 RORC (0.56) RORCMAP2K3PPARG
SCHEMBL25253329 0.84 RORC (0.65) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL29389731 0.83 RORC (0.57) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL25776035 0.82 RORC (0.62) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL28711290 0.82 RORC (0.59) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL18399874 0.81 RORC (0.44) RORC
SCHEMBL29388463 0.81 RORC (0.85) RORCMAP2K3PPARG
SCHEMBL29387143 0.80 RORC (0.54) RORCKDM4EMEN1ALDH1A1MAPT
SCHEMBL29389794 0.79 RORC (0.56) RORCKDM4EMEN1ALDH1A1MAPT

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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