SCHEMBL8183389

SCHEMBL8183389

O=[N+]([O-])c1cccc(-c2c3nc(c(-c4cccc([N+](=O)[O-])c4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.52
▸ NPC1 O15118 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ ALOX5 P09917 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ CDC7 O00311 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKN1 Q16512 1/20 0.46
▸ PKN2 Q16513 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PGR P06401 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43

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
SCHEMBL8173803 1.00 TOP1 (0.52) TOP1NPC1MAPTRAB9ACYP1A2
SCHEMBL8183395 1.00 TOP1 (0.52) TOP1NPC1MAPTRAB9ACYP1A2
SCHEMBL8953572 0.92 MEN1 (0.55) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL8347099 0.91 NPC1 (0.54) TOP1NPC1MAPTRAB9ACYP1A2
SCHEMBL9223971 0.86 TOP1 (0.62) TOP1NPC1MAPTRAB9ACYP3A4
SCHEMBL8186746 0.81 STAT3 (0.55) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL8186744 0.81 STAT3 (0.55) NPC1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL31154457 0.79 TOP1 (0.55) TOP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10587131 0.79 TOP1 (0.55) TOP1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15134783 0.79 TOP1 (0.55) TOP1NPC1MAPTRAB9ASMN1; 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 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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