SCHEMBL28711290

SCHEMBL28711290

Cc1ccc(C(=O)c2nc(-c3ccccc3)c3ccccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.59
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAP2K3 P46734 1/20 0.52
▸ PPARG P37231 1/20 0.51
▸ HIF1A Q16665 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29389352 0.88 RORC (0.60) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29390070 0.87 RORC (0.59) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29389092 0.87 RORC (0.65) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29389090 0.86 RORC (0.56) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29386498 0.86 RORC (0.56) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29389794 0.86 RORC (0.56) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29390025 0.85 RORC (0.55) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL29386833 0.84 RORC (0.64) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL28713535 0.82 RORC (0.58) RORCMEN1KMT2AKDM4EALDH1A1

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-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
Send feedback