SCHEMBL20596045

SCHEMBL20596045

COC(=O)Cn1c(C(O)c2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 9/20 0.54
▸ P2RX3 P56373 5/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL20596159 0.91 MARS2 (0.56) MARS2
SCHEMBL20595924 0.88 MARS2 (0.66) MARS2
SCHEMBL23391548 0.88 MARS2 (0.40) MARS2P2RX3EGFRKDM4E
SCHEMBL30145327 0.88 MARS2 (0.40) MARS2P2RX3EGFRKDM4E
SCHEMBL20595966 0.82 MARS2 (0.77) MARS2P2RX3EGFR
SCHEMBL20596079 0.82 MARS2 (0.68) MARS2
SCHEMBL30145277 0.79 MARS2 (0.40) MARS2P2RX3
SCHEMBL23391444 0.79 MARS2 (0.40) MARS2P2RX3
SCHEMBL20595831 0.79 MARS2 (0.51) MARS2
SCHEMBL23419242 0.77 MARS2 (0.48) MARS2P2RX3

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-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 — — WO claimed
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