Sugi Predict

Sugi Predict / Compounds / SCHEMBL10471408

SCHEMBL10471408

SCHEMBL10471408

C1=Cc2nc1c(-c1ccccc1)c1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.C[O-].C[O-].C[O-].O=[Mo+3]

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.58
▸ CYCS P99999 3/20 0.56
▸ TERT O14746 5/20 0.55
▸ ENPP2 Q13822 1/20 0.55
▸ STAT3 P40763 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL30136 0.89 TOP1 (0.64) TOP1CYCSTERTENPP2STAT3
SCHEMBL29405434 0.89 TOP1 (0.64) TOP1CYCSTERTENPP2STAT3
SCHEMBL7987113 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL483081 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL9640434 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL15085674 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL9418767 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL991489 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL8014529 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3
SCHEMBL8014524 0.88 TOP1 (0.62) TOP1CYCSTERTENPP2STAT3

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
US-4973718-A RHENIUM PROPHYRIN CATALYST DEGUSSA AKTIENGESELLSCHAFT (DE) 1990-11-27 — — US disclosed
US-4845252-A COMPLEX TUNGSTEN CATALYST DEGUSSA AKTIENGESELLSCHAFT (DE) 1989-07-04 — — US disclosed
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