SCHEMBL6323777

SCHEMBL6323777

O=C(NCCNCc1n[nH]c(=O)c2ccccc12)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ PARP1 P09874 3/20 0.49
▸ AR P10275 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TNKS O95271 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ BRD4 O60885 1/20 0.45

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
SCHEMBL6332757 0.80 SMN1; SMN2 (0.54) KDM4EPOLBPARP1ARGAA
SCHEMBL13365569 0.78 LMNA (0.67) GAAHTTMEN1MAPTKMT2A
SCHEMBL5019074 0.76 LMNA (0.73) GAAHTTALDH1A1MEN1MAPT
SCHEMBL17444767 0.76 KDM4E (0.73) KDM4EPOLBPARP1ARGAA
Hydrochloric Acid SCHEMBL4506331 0.75 LMNA (0.71) GAAHTTALDH1A1MEN1MAPT
SCHEMBL6326092 0.74 MAPT (0.61) KDM4EPOLBPARP1ARGAA
SCHEMBL13055383 0.74 LMNA (0.80) GAAHTTALDH1A1MEN1MAPT
SCHEMBL13858810 0.74 KDM4E (0.66) KDM4EPOLBPARP1ARGAA
SCHEMBL7364819 0.71 LMNA (0.65) GAAHTTALDH1A1MEN1MAPT
SCHEMBL11376465 0.71 HTT (0.70) HTTALDH1A1MEN1MAPTKMT2A

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
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