SCHEMBL17688987

SCHEMBL17688987

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)OC)cc3)c3nc(c(-c4ccc(C(=O)OC)cc4)c4ccc1[nH]4)C(O)[C@@H]3O)C=C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ TOP1 P11387 3/20 0.40
▸ CYCS P99999 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MGLL Q99685 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL17689321 1.00 ABCG2 (0.46) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12392100 0.99 ABCG2 (0.45) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12450828 0.99 ABCG2 (0.45) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL17688986 0.97 ABCG2 (0.48) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12392075 0.97 ABCG2 (0.48) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12451490 0.97 ABCG2 (0.48) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL24689530 0.96 ABCG2 (0.43) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL17688989 0.95 ABCG2 (0.50) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL24689574 0.95 ABCG2 (0.50) ABCG2TOP1CYCSSMN1; SMN2MAPT
SCHEMBL12451489 0.94 ABCG2 (0.52) ABCG2TOP1CYCSSMN1; SMN2MAPT

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-9315510-B2 Method and application of unsymmetrically meso-substituted porphyrins and chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-19 — — US disclosed
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