SCHEMBL8187838

SCHEMBL8187838

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYCS P99999 4/20 0.63
▸ TOP1 P11387 4/20 0.63
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMO O15229 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ CD74 P04233 1/20 0.43
▸ MIF P14174 1/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ CSNK1E P49674 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ TERT O14746 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
SCHEMBL18917438 0.92 TOP1 (0.69) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL25395955 0.92 TOP1 (0.68) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL30493187 0.92 TOP1 (0.68) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL28499238 0.91 CYCS (0.67) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL28500846 0.91 CYCS (0.67) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL28479053 0.91 CYCS (0.67) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL28498162 0.91 CYCS (0.67) CYCSTOP1KDM4ENPC1ALDH1A1
SCHEMBL31392584 0.85 TOP1 (0.86) CYCSTOP1ENPP2CSNK1DCSNK1E
Porphirin SCHEMBL29373094 0.85 TOP1 (0.86) CYCSTOP1ENPP2CSNK1DCSNK1E
Porphirin SCHEMBL8185370 0.85 TOP1 (0.86) CYCSTOP1ENPP2CSNK1DCSNK1E

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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