SCHEMBL2364029

SCHEMBL2364029

CCCCCCc1c2nc(c(CCCCCC)c3ccc([nH]3)c(-c3ccc(C(=O)O)cc3)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.55
▸ CYCS P99999 4/20 0.54
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ RARB P10826 7/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RARA P10276 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MPL P40238 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ ENPP2 Q13822 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
SCHEMBL2310933 0.91 TOP1 (0.67) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2314598 0.91 TOP1 (0.67) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2314588 0.91 TOP1 (0.67) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2317190 0.89 TOP1 (0.42) TOP1CYCSSTAT3STAT1RARB
SCHEMBL20843311 0.86 TOP1 (0.60) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2364034 0.86 RARB (0.40) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL11339474 0.85 TOP1 (0.75) TOP1CYCSSTAT3STAT1ALDH1A1
SCHEMBL12451909 0.84 TOP1 (0.58) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL12392113 0.84 TOP1 (0.58) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2312695 0.84 ABCG2 (0.42) TOP1CYCSSTAT3STAT1MEN1

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-2350058-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CeramOptec GmbH (DE) 2011-08-03 — — EP disclosed
WO-2010033678-A2 NOVEL METHOD AND APPLICATION OF UNSYMMETRICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PDT CERAMOPTEC INDUSTRIES, INC. (US) 2010-03-25 — — WO disclosed
Send feedback