SCHEMBL10426643

SCHEMBL10426643

COc1cc2c(cc1OC)C(c1ccncc1)=NCC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
LMNA P02545 2/20 0.74
MAPK10 P53779 12/20 0.65
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
PKM P14618 1/20 0.59
RAD52 P43351 1/20 0.59
MAPK14 Q16539 3/20 0.56
MAPK9 P45984 2/20 0.56
MAPK8 P45983 1/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
MAOA P21397 1/20 0.56
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53

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
SCHEMBL5355121 0.87 MAPK10 (0.80) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL30979840 0.87 MAPK10 (0.80) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL30597523 0.85 ALDH1A1 (0.79) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL28931630 0.85 ALDH1A1 (0.79) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL17144905 0.84 ALDH1A1 (0.71) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL31011321 0.84 ALDH1A1 (0.76) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL28180887 0.84 ALDH1A1 (0.76) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL30439351 0.82 ALDH1A1 (0.65) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL29010990 0.82 ALDH1A1 (0.65) ALDH1A1LMNAMAPK10CA1CA2
SCHEMBL7109609 0.80 LMNA (0.78) ALDH1A1LMNAMAPK10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351399-A1 ISOQUINOLINE DERIVATIVES, THEIR MANUFACTURE AND USE HUHTAMÄKI OY (FI) 1990-01-24 EP disclosed
WO-1988007041-A1 ISOQUINOLINE DERIVATIVES, THEIR MANUFACTURE AND USE Huhtamäki Oy (FI) 1988-09-22 WO disclosed