SCHEMBL20843337

SCHEMBL20843337

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)OC)cc3)c3nc(c(CCCCCC)c4ccc1[nH]4)CCC3)C=C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TOP1 P11387 3/20 0.38
▸ CYCS P99999 4/20 0.38
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SPR P35270 1/20 0.33
▸ 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
SCHEMBL20843314 0.89 SMN1; SMN2 (0.35) ABCG2MAPTSMN1; SMN2TLR8TP53
SCHEMBL20843349 0.88 TOP1 (0.52) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL2342864 0.88 ABCG2 (0.56) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL2319612 0.88 ABCG2 (0.56) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL2319605 0.88 ABCG2 (0.56) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL2318530 0.88 ABCG2 (0.56) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12893300 0.87 ABCG2 (0.57) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL20843315 0.86 TOP1 (0.53) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL13459435 0.85 TOP1 (0.56) ABCG2TOP1CYCSMAPTSMN1; SMN2
SCHEMBL12392084 0.84 ABCG2 (0.47) 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-A1 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT biolitec Unternehmensbeteiligungs II AG (AT) 2019-03-27 — — EP disclosed
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