SCHEMBL7705564

SCHEMBL7705564

Nc1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccc(N)cc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.97
▸ CYCS P99999 3/20 0.51
▸ TERT O14746 4/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ MAPK13 O15264 2/20 0.43
▸ MAPK12 P53778 2/20 0.43
▸ MAPK11 Q15759 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ IMPDH2 P12268 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
SCHEMBL7247270 1.00 TOP1 (0.97) TOP1CYCSTERTENPP2ABCG2
SCHEMBL3424111 0.92 TOP1 (0.81) TOP1CYCSTERTENPP2ABCG2
SCHEMBL7247327 0.90 TOP1 (0.80) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31463631 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
Hydrochloric Acid SCHEMBL8908213 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31463633 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL16438041 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL3802533 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31337529 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2
SCHEMBL31337498 0.90 TOP1 (0.79) TOP1CYCSTERTENPP2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355793-B1 ORGANOMETALLIC ZEOLITE MADE OF MULTIPLICITY OF UNITS, EACH OF WHICH IS SYMMETRICAL PORPHINE COORDINATED TO METAL ION AND SUBSTITUTED WITH AT LEAST TWO LINKING GROUPS AND OPTIONALLY WITH ONE OR MORE NON-LINKING GROUPS ACADEMIA SINICA (TW) 2002-03-12 — — US disclosed
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