SCHEMBL2317190

SCHEMBL2317190

CCCCCCc1c2nc(c(CCCCCC)c3[nH]c(cc4nc(cc5ccc1[nH]5)C=C4)c(-c1ccc(C(=O)O)cc1)c3-c1ccc(C(=O)O)cc1)C=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.42
▸ CYCS P99999 3/20 0.41
▸ RARB P10826 8/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RARA P10276 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MPL P40238 2/20 0.38
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL2364034 0.89 RARB (0.40) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2364029 0.89 TOP1 (0.55) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL29910098 0.81 STAT3 (0.39) ALDH1A1MAPTSTAT3STAT1
SCHEMBL6014909 0.80 STAT3 (0.36) TOP1MPLSTAT3STAT1
SCHEMBL2310933 0.80 TOP1 (0.67) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2314598 0.80 TOP1 (0.67) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL2314588 0.80 TOP1 (0.67) TOP1CYCSRARBMEN1ALDH1A1
SCHEMBL4944703 0.80 STAT3 (0.40) ALDH1A1MAPTSTAT3STAT1SMN1; SMN2
SCHEMBL5011951 0.79 STAT3 (0.47) ALDH1A1MAPTSTAT3STAT1
SCHEMBL3720959 0.78 STAT3 (0.37) ALDH1A1MAPTSTAT3STAT1

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
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