SCHEMBL13014673

SCHEMBL13014673

C=CCC(=C)c1cc(Cl)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ HTT P42858 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ MAPT P10636 9/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 2/20 0.44
▸ GAA P10253 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AHR P35869 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL57542 0.73 KDM4E (0.69) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL11506441 0.71 KDM4E (0.67) KDM4EHTTUSP2MAPTALDH1A1
Hydrochloric Acid SCHEMBL31715997 0.71 KDM4E (0.67) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL1613027 0.71 KDM4E (0.67) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL12020235 0.71 TLR7 (0.42) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL6385845 0.71 PTK2B (0.49) KDM4EHTTMAPTALDH1A1HPGD
SCHEMBL6457986 0.70 KDM4E (0.65) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL13209738 0.70 KDM4E (0.69) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL2537845 0.70 KDM4E (0.64) KDM4EHTTUSP2MAPTALDH1A1
SCHEMBL28535854 0.70 KDM4E (0.64) KDM4EHTTUSP2MAPTALDH1A1

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
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 — — EP disclosed
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