SCHEMBL18874431

SCHEMBL18874431

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

nearest known ligand 0.33

Predicted protein targets (top 5)

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
▸ LMNA P02545 1/20 0.30

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
SCHEMBL12188685 0.88 LMNA (0.31) LMNA
SCHEMBL11891074 0.79 MEN1 (0.33) MAPT
SCHEMBL12951124 0.76 ALDH1A1 (0.35) ALDH1A1GAAMAPTPKM
SCHEMBL12567044 0.71 ALDH1A1 (0.33) ALDH1A1GAAMAPTPKM
SCHEMBL11892871 0.71 MAPT (0.33) ALDH1A1GAAMAPTPKM
SCHEMBL11892865 0.69 ERCC5 (0.34) ALDH1A1GAAMAPTLMNA
SCHEMBL11891078 0.69 PDPK1 (0.37) ALDH1A1MAPTPKM
SCHEMBL13467108 0.68 ERCC5 (0.33) ALDH1A1GAAMAPTLMNA
SCHEMBL24236827 0.68 MAPT (0.36) ALDH1A1GAAMAPTPKM
SCHEMBL12188710 0.67 EGFR (0.31) ALDH1A1GAAMAPTPKM

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-9650461-B2 Semiconductor materials prepared from dithienylvinylene copolymers BASF SE (DE) 2017-05-16 — — US disclosed
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