SCHEMBL10596017

SCHEMBL10596017

C=C(I)c1ccc(OC)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.56
▸ HPGDS O60760 1/20 0.54
▸ CDC25B P30305 2/20 0.53
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C9 P11712 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ STAT6 P42226 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ IDO1 P14902 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ EP300 Q09472 1/20 0.47
▸ KAT8 Q9H7Z6 1/20 0.47
▸ IMPDH2 P12268 1/20 0.44
▸ IMPDH1 P20839 1/20 0.44

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
SCHEMBL28389794 0.77 CDC25B (0.60) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL29380721 0.77 IDO1 (0.73) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL419307 0.77 IDO1 (0.73) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL4518755 0.76 PLK1 (0.67) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL4469856 0.76 CDC25B (0.78) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL7842295 0.76 PLK1 (0.67) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL2949650 0.75 PLK1 (0.57) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL3946697 0.75 PLK1 (0.61) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL24101354 0.74 PLK1 (0.70) PLK1HPGDSCDC25BMAPTKMT2A
SCHEMBL14537714 0.74 HPGDS (0.58) PLK1HPGDSCDC25BMAPTKMT2A

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-0171497-B1 CATALYST SYSTEM AND PROCESS FOR POLYMERIZING CONJUGATED DIENES THE FIRESTONE TIRE & RUBBER COMPANY (US) 1989-01-25 — — EP disclosed
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