SCHEMBL31392728

SCHEMBL31392728

CC(=O)Nc1ccc(-c2cc(C=O)c3cc(F)ccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ PDE10A Q9Y233 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MOK Q9UQ07 8/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PLA2G2A P14555 1/20 0.48
▸ DHODH Q02127 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47

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
SCHEMBL31392716 0.87 ALDH1A1 (0.64) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL31392697 0.86 MOK (0.59) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL19475440 0.85 KMT2A (0.70) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL26075569 0.84 DHODH (0.48) KMT2AALDH1A1MEN1PLA2G2ADHODH
SCHEMBL31392768 0.84 PLA2G2A (0.56) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL26075573 0.81 DHODH (0.45) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL31392724 0.80 ALDH1A1 (0.53) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL31392713 0.79 KMT2A (0.49) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL31392760 0.78 MOK (0.60) KMT2AKDM4EPDE10AALDH1A1MEN1
SCHEMBL26649544 0.78 PLA2G2A (0.65) KMT2AKDM4EALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350240-A 4-Quinoline anilines main protease inhibitor and preparation method and medical application thereof 河南师范大学 2025-01-24 — — CN disclosed
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