SCHEMBL11369909

SCHEMBL11369909

COC(=O)c1nc2cc(C(F)(F)F)c(SSc3c(C(F)(F)F)cc4nc(C(=O)OC)[nH]c4c3N)c(N)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 6/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CACNA1H O95180 2/20 0.35
▸ NOTUM Q6P988 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RBP4 P02753 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL11367375 0.84 ILK (0.34) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL11373212 0.83 KDM4E (0.35) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL11371143 0.81 RHEB (0.38) KDM4EMAPTABL1HPGD
SCHEMBL11378316 0.81 XDH (0.36) KDM4EALDH1A1HTTMAPTHPGD
SCHEMBL11366924 0.81 KDM4E (0.40) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL11372473 0.77 CNR2 (0.37) LMNAMAPT
SCHEMBL2319088 0.75 NOTUM (0.46) CFTRKDM4EALDH1A1HTTLMNA
SCHEMBL11375853 0.75 XDH (0.39) KDM4EALDH1A1MAPTABL1HSD17B10
SCHEMBL11367790 0.73 MMP13 (0.41) ALDH1A1LMNAHPGDHSD17B10
SCHEMBL11372873 0.72 FGFR1 (0.35) KDM4EALDH1A1HTTLMNAL3MBTL1

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
US-4259344-A FUNGICIDES, ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1981-03-31 — — US disclosed
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