SCHEMBL12567044

SCHEMBL12567044

CC(C)c1cc2c(s1)-c1sc(C(C)C)cc1C2=C(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL12546350 0.79 — —
SCHEMBL22355813 0.76 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL12951124 0.76 ALDH1A1 (0.35) ALDH1A1GAAMAPTPKM
SCHEMBL18874431 0.71 ALDH1A1 (0.33) ALDH1A1GAAMAPTPKM
SCHEMBL11892871 0.71 MAPT (0.33) ALDH1A1GAAMAPTPKM
SCHEMBL20306486 0.68 — —
SCHEMBL1620150 0.68 — —
SCHEMBL15281521 0.66 — —
SCHEMBL12294707 0.66 LMNA (0.39) ALDH1A1GAAMAPTPKMPTGS1
SCHEMBL12567042 0.66 MAPT (0.47) ALDH1A1GAAMAPTPKMPTGS1

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-20110136973-A1 POLYBENZOTHIOPHENE POLYMERS AND PROCESS FOR THEIR PREPARATION BASF SE (DE) 2011-06-09 — — US disclosed
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