SCHEMBL20354583

SCHEMBL20354583

Cc1ccc2c3ccc4c5c6c(ccc7c8ccc9c%10cc%11c%12ccc(C)c%13c%14c(C)ccc%15c%16ccc%17c%18c%19c(ccc%20c%21ccc%22c%23cc%24c%25ccc(C)c%26c1c2c1c(c35)c(c76)c2c8c9c(c%23c%10c3c%22c%21c5c(c%20%19)c(c%16%18)c(c%15%14)c(c%12%13)c5c%113)c%24c2c1c%25%26)C%17=C(C#N)C#N)C4=C(C#N)C#N

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPRT1 P00492 1/20 0.30
EGFR P00533 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
SCHEMBL20354582 0.67 ALDH1A1 (0.30) MAPTPKMALDH1A1GAA
SCHEMBL20348786 0.67 TDP2 (0.32)
SCHEMBL20354531 0.66 KDM4E (0.38) MAPTALDH1A1
SCHEMBL20354523 0.65 CCR1 (0.30)
SCHEMBL9964258 0.65 MAPT (0.51) MAPTPKMALDH1A1GAAMEN1
SCHEMBL14044710 0.65 MAPT (0.43) MAPTPKMALDH1A1GAAMEN1
SCHEMBL9963864 0.62 MAPT (0.49) MAPTPKMALDH1A1GAAMEN1
SCHEMBL20348792 0.61 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2A
SCHEMBL12567042 0.61 MAPT (0.47) MAPTPKMALDH1A1GAAMEN1
SCHEMBL11588967 0.60 HPRT1 (0.42) MAPTPKMALDH1A1GAAMEN1

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