SCHEMBL24689349

SCHEMBL24689349

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)OC)cc3)c3nc(c(-c4ccc(C(C)=O)cc4)c4ccc1[nH]4)C=C3)C(O)C2O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ TOP1 P11387 3/20 0.43
▸ CYCS P99999 4/20 0.42
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ TERT O14746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL12451489 0.96 ABCG2 (0.52) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12392069 0.96 ABCG2 (0.52) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL17688989 0.95 ABCG2 (0.50) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL24689574 0.95 ABCG2 (0.50) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL24689530 0.94 ABCG2 (0.43) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12451490 0.93 ABCG2 (0.48) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL17688986 0.93 ABCG2 (0.48) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12392075 0.93 ABCG2 (0.48) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12450828 0.91 ABCG2 (0.45) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12392100 0.91 ABCG2 (0.45) ABCG2TOP1CYCSMAPTSMN1; SMN2

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
EP-3459955-B1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT BIOLITEC UNTERNEHMENSBERATUNGS II AG (AT) 2022-11-02 — — EP disclosed
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