SCHEMBL14528755

SCHEMBL14528755

CNCCCOc1ccc(-c2c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c(-c4ccc(OC)cc4)c4nc(c(-c5ccc(C#N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ TERT O14746 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ TOP1 P11387 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ HTR1B P28222 1/20 0.36

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
SCHEMBL10050507 0.88 TERT (0.41) ABCG2CNR1GRIN1GRIN2BMEN1
SCHEMBL10075062 0.87 ABCG2 (0.47) ABCG2CNR1MEN1KMT2ATERT
SCHEMBL10050496 0.81 MAPT (0.36) ABCG2CNR1GRIN1GRIN2BMEN1
SCHEMBL10050508 0.80 MAPT (0.43) ABCG2CNR1GRIN1GRIN2BMAPT
SCHEMBL10074756 0.80 RAB9A (0.50) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14350959 0.79 ABCG2 (0.44) ABCG2MEN1KMT2AMAPTTERT
SCHEMBL10050499 0.79 ABCG2 (0.41) ABCG2CNR1MEN1KMT2ATERT
SCHEMBL949511 0.77 TERT (0.57) ABCG2MAPTTERTTOP1ALDH1A1
SCHEMBL29414382 0.77 TERT (0.57) ABCG2MAPTTERTTOP1ALDH1A1
SCHEMBL29777544 0.77 TOP1 (0.55) ABCG2TERTTOP1CYCS

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
WO-2007051947-A1 NOVEL ELECTROPOLYMERISABLE MONOMERS WHICH ARE SOLUBLE IN AN AQUEOUS SOLUTION AND COMPRISE A METALLOPORPHYRINE BIOMERIEUX (FR) 2007-05-10 — — WO disclosed
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