SCHEMBL20354582

SCHEMBL20354582

Cc1cc2c3c(c1C)c1c(C)c4c(C)c5c(C)c(C)c6c7c(C)cc8c9c%10c(cc(C)c(C)c%10c%10c(C)c%11c(C)c%12c(C)c(C)c%13c%14c(C)cc(c3c%14c1c1c4c3c5c6c(c%11c3c%12c%131)c%10c97)C2=C(C#N)C#N)C8=C(C#N)C#N

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL20354583 0.67 MAPT (0.36) ALDH1A1GAAMAPTPKM
SCHEMBL11587496 0.61 MAPT (0.36) ALDH1A1GAAMAPTPKM
SCHEMBL14044710 0.59 MAPT (0.43) ALDH1A1GAAMAPTPKM
SCHEMBL9964258 0.59 MAPT (0.51) ALDH1A1GAAMAPTPKM
SCHEMBL12520181 0.58 MCL1 (0.31)
SCHEMBL12951124 0.57 ALDH1A1 (0.35) ALDH1A1GAAMAPTPKM
SCHEMBL9963864 0.56 MAPT (0.49) ALDH1A1GAAMAPTPKM
SCHEMBL10049858 0.56 EGFR (0.40) ALDH1A1
SCHEMBL10062428 0.55 MEN1 (0.44) ALDH1A1GAAMAPTPKM
SCHEMBL12114087 0.55 KMT2A (0.39) 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-20180185814-A1 NANOSTRUCTURED COMPOSITES FOR GAS SEPARATION AND STORAGE UNIV CALIFORNIA (US) 2018-07-05 US disclosed