SCHEMBL8186744

SCHEMBL8186744

O=[N+]([O-])c1cccc(-c2c3nc(c(-c4cccc([N+](=O)[O-])c4)c4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MMP13 P45452 2/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ GUSB P08236 1/20 0.42
▸ PGR P06401 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42

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
SCHEMBL10719623 0.97 STAT3 (0.57) STAT3STAT1MAPTMEN1KMT2A
SCHEMBL8186746 0.93 STAT3 (0.55) STAT3STAT1MAPTMEN1KMT2A
SCHEMBL8953572 0.88 MEN1 (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL27898701 0.85 STAT3 (0.58) STAT3STAT1MAPTMEN1KMT2A
SCHEMBL8347099 0.84 NPC1 (0.54) STAT3STAT1MAPTMEN1KMT2A
SCHEMBL4544258 0.83 STAT3 (0.57) STAT3STAT1MAPTMEN1KMT2A
SCHEMBL8183389 0.81 TOP1 (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL10719640 0.81 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8173803 0.81 TOP1 (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8183395 0.81 TOP1 (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087493-A ENZYME IHIBITORS REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-11 — — US disclosed
EP-0988037-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-03-29 — — EP disclosed
WO-1998033503-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-08-06 — — WO disclosed
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