SCHEMBL1663256

SCHEMBL1663256

COC(=O)c1nn2c(C(F)(F)F)cc(C(C)(F)F)cc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 3/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34

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
SCHEMBL1663471 0.86 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1662862 0.84 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1663326 0.83 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1662749 0.82 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1662801 0.82 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1664938 0.81 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1662869 0.81 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1662501 0.80 HPGD (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1663476 0.78 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1663504 0.75 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E

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
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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