SCHEMBL27807952

SCHEMBL27807952

CCN1Cc2nc3c(-c4ccc(F)c(OC)c4)c(F)ccc3c(N)c2C1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 8/20 0.34
▸ GABRB3 P28472 8/20 0.34
▸ GABRA2 P47869 8/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33
▸ FGFR2 P21802 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ CFD P00746 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27786050 0.88 GABRG2 (0.35) GABRG2GABRB3GABRA2KDM1AKDM4E
SCHEMBL27807912 0.88 CD274 (0.36) GABRG2GABRB3GABRA2MEN1KMT2A
SCHEMBL28784319 0.87 GABRG2 (0.39) GABRG2GABRB3GABRA2
SCHEMBL27785933 0.86 GABRG2 (0.33) GABRG2GABRB3GABRA2KDM1A
SCHEMBL27807932 0.86 GABRG2 (0.41) GABRG2GABRB3GABRA2
SCHEMBL27785971 0.86 GABRG2 (0.33) GABRG2GABRB3GABRA2ABCG2KDM1A
SCHEMBL28787439 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA2
SCHEMBL27807958 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA2
SCHEMBL27807963 0.81 GABRG2 (0.50) GABRG2GABRB3GABRA2
SCHEMBL27807926 0.81 ALDH1A1 (0.31) GABRG2GABRB3GABRA2HSD17B10

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-101778849-A Fused quinoline derivatives useful as gaba modulators ASTRAZENECA AB 2010-07-14 — — CN disclosed
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