SCHEMBL2317964

SCHEMBL2317964

O=C(O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPRS1 P07814 1/20 0.40
▸ PIN1 Q13526 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ EGLN1 Q9GZT9 6/20 0.34
▸ CACNA1H O95180 2/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ PTGFR P43088 1/20 0.31

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
SCHEMBL2319088 0.83 NOTUM (0.46) EPRS1LMNACACNA1H
SCHEMBL17109179 0.80 PIN1 (0.40) PIN1LMNAEGLN1
SCHEMBL19742259 0.79 CACNA1H (0.46) EPRS1SMN1; SMN2EGLN1CACNA1H
SCHEMBL2322551 0.78 RBP4 (0.35) PIN1SMN1; SMN2EGLN1CACNA1H
SCHEMBL19742260 0.77 EPRS1 (0.34) EPRS1HCAR1
SCHEMBL21906383 0.77 RXRA (0.43) PIN1LMNAEGLN1RXRARXRB
SCHEMBL12020667 0.75 MAPT (0.41) SMN1; SMN2CACNA1HHCAR1
SCHEMBL3689256 0.74 ERN1 (0.45) PIN1SMN1; SMN2RXRARXRBRXRG
SCHEMBL2319832 0.73 CSNK2A1 (0.33) HCAR1
SCHEMBL20495249 0.70 S1PR1 (0.39) PIN1SMN1; SMN2LMNAEGLN1RXRA

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-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 — — WO disclosed
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