SCHEMBL8310977

SCHEMBL8310977

FC(F)(F)c1ccc(-c2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 5/20 0.43
▸ PARP1 P09874 5/20 0.43
▸ TNKS2 Q9H2K2 5/20 0.43
▸ WNT3A P56704 3/20 0.43
▸ PARP2 Q9UGN5 4/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ PARP4 Q9UKK3 1/20 0.35
▸ AXIN2 Q9Y2T1 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
SCHEMBL8310827 0.84 PIK3CD (0.40) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL8316989 0.82 PTGDR2 (0.38) NISCHGAANPC1ALDH1A1KMT2A
SCHEMBL8315862 0.82 ALOX5 (0.44) NISCHGAANPC1ALDH1A1MAPT
SCHEMBL8312319 0.81 NPC1 (0.37) NISCHGAANPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL8315893 0.81 MAPT (0.38) GAANPC1ALDH1A1BRD4MAPT
SCHEMBL8315464 0.80 PDE4B (0.39) MAPT
Hydrochloric Acid SCHEMBL8316299 0.80 LOXL2 (0.39) LTA4H
SCHEMBL8311457 0.78 APP (0.43) GAANPC1ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL8312117 0.77 RAB9A (0.42) NISCHNPC1ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL8317268 0.77 APP (0.42) GAAMEN1MAPTKMT2AHTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 — — EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 — — US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 — — US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 — — US disclosed
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