SCHEMBL2364034

SCHEMBL2364034

CCCCCCc1c2nc(c(CCCCCC)c3[nH]c(cc4nc(cc5ccc1[nH]5)C=C4)cc3-c1ccc(C(=O)O)cc1)C=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 8/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RARA P10276 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MPL P40238 2/20 0.38
▸ TOP1 P11387 3/20 0.38
▸ CYCS P99999 2/20 0.38
▸ PTPN11 Q06124 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 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
SCHEMBL2317190 0.89 TOP1 (0.42) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL2364029 0.86 TOP1 (0.55) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL29910098 0.82 STAT3 (0.39) ALDH1A1MAPT
SCHEMBL6014909 0.81 STAT3 (0.36) MPLTOP1
SCHEMBL4944703 0.81 STAT3 (0.40) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3720959 0.79 STAT3 (0.37) ALDH1A1MAPT
SCHEMBL6003904 0.79 STAT3 (0.41) ALDH1A1MAPT
SCHEMBL3522373 0.79 STAT3 (0.41) ALDH1A1MAPT
SCHEMBL15510967 0.79 STAT3 (0.41) ALDH1A1MAPT
SCHEMBL3520094 0.79 STAT3 (0.41) ALDH1A1MAPT

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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