SCHEMBL8186752

SCHEMBL8186752

O=[N+]([O-])c1cccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cccc([N+](=O)[O-])c3)=C3C=CC2=N3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MGAM2 Q2M2H8 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
SCHEMBL9879064 0.86 LMNA (0.48) LMNASMN1; SMN2PSMB8MAPTRAB9A
SCHEMBL8347105 0.82 RAB9A (0.50) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL8186418 0.81 MAPT (0.38) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10719634 0.80 PTPRC (0.42) LMNASMN1; SMN2PSMB8MAPTRAB9A
SCHEMBL8183397 0.79 MAPT (0.50) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL28186501 0.78 — —
SCHEMBL1861250 0.77 HSPB1 (0.40) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL584790 0.76 HSD17B1 (0.37) —
SCHEMBL27618213 0.76 — —
SCHEMBL27787556 0.75 TAAR1 (0.35) TDP1

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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