SCHEMBL2319088

SCHEMBL2319088

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CFTR P13569 3/20 0.35
▸ XDH P47989 1/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ SRC P12931 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ SOS1 Q07889 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ CRHBP P24387 1/20 0.33

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
SCHEMBL2317964 0.83 EPRS1 (0.40) LMNACACNA1HEPRS1
SCHEMBL2318935 0.79 EGLN1 (0.47) NOTUMKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL11369909 0.75 CFTR (0.37) NOTUMKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL19742259 0.74 CACNA1H (0.46) ALDH1A1CACNA1HEPRS1
SCHEMBL12020667 0.74 MAPT (0.41) KDM4EALDH1A1HTTMAPTCACNA1H
SCHEMBL19742260 0.73 EPRS1 (0.34) NOTUMCFTREPRS1
SCHEMBL27347629 0.72 NOTUM (0.60) NOTUMLMNAHTTCFTRSOS1
SCHEMBL13748011 0.71 MMP2 (0.50) ALDH1A1L3MBTL1HTTMMP2MMP9
SCHEMBL2319832 0.69 CSNK2A1 (0.33) KDM4EMEN1MAPTKMT2A
SCHEMBL31568995 0.68 MAPT (0.44) KDM4EALDH1A1LMNAMMP2MMP9

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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