SCHEMBL10897459

SCHEMBL10897459

O=C(O)CCCCCCc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.53
▸ CYCS P99999 4/20 0.52
▸ MAPT P10636 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ S1PR1 P21453 1/20 0.50
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ ENPP2 Q13822 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ DAGLA Q9Y4D2 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 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
SCHEMBL10729258 0.88 ENPP2 (0.65) TOP1CYCSMAPTRXFP1S1PR1
SCHEMBL10895316 0.88 ENPP2 (0.65) TOP1CYCSMAPTRXFP1S1PR1
SCHEMBL10895278 0.87 ENPP2 (0.63) TOP1CYCSMAPTRXFP1S1PR1
SCHEMBL17906174 0.81 TOP1 (0.49) TOP1CYCSENPP2ABCG2
SCHEMBL17906202 0.80 CYCS (0.49) TOP1CYCSENPP2ABCG2
SCHEMBL9018611 0.80 TOP1 (0.52) TOP1CYCSENPP2FFAR1SMN1; SMN2
SCHEMBL14629719 0.78 TOP1 (0.41) TOP1CYCSHDAC2HDAC1FFAR1
SCHEMBL3474355 0.78 TERT (0.51) TOP1CYCSMAPTENPP2SLC6A3
SCHEMBL10717959 0.78 TERT (0.51) TOP1CYCSMAPTENPP2SLC6A3
SCHEMBL7664820 0.78 TOP1 (0.66) TOP1CYCSMAPTENPP2ABCG2

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-4614723-A Porphyrin derivatives as fluorescent markers for immunoassays HOFFMANN-LA ROCHE INC. (US) 1986-09-30 — — US disclosed
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