SCHEMBL1662993

SCHEMBL1662993

COC(=O)c1nn2c(C(F)(F)F)cc(Br)cc2c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NOTUM Q6P988 2/20 0.42
▸ HPGD P15428 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SOS1 Q07889 1/20 0.35

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
SCHEMBL1662862 0.86 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1664597 0.86 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1662907 0.85 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1663371 0.85 EGFR (0.43) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1663399 0.82 ELANE (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1663125 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23905478 0.80 ELANE (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3686647 0.80 EGFR (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1664651 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1665666 0.77 ALDH1A1 (0.39) 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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