SCHEMBL10688671

SCHEMBL10688671

COc1c(Cl)cc(-c2ccc(=O)n(CN3CCOCC3)n2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CHEK1 O14757 1/20 0.41
▸ NEK2 P51955 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MET P08581 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PDE4D Q08499 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL10681618 0.87 KDM4E (0.46) KDM4EHSD17B10POLBCYP3A4CYP2C9
SCHEMBL10687459 0.84 KDM4E (0.49) KDM4EHSD17B10POLBCYP3A4CYP2C9
SCHEMBL10690052 0.80 CHEK1 (0.48) KDM4EPOLBCHEK1NEK2LIMK1
SCHEMBL10688298 0.75 PDE4A (0.51) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL10685619 0.74 CTSS (0.43) KDM4EHSD17B10POLBCYP3A4CYP2C9
SCHEMBL10691334 0.74 TSHR (0.47) KDM4EHSD17B10POLBCYP3A4CYP2C9
SCHEMBL10685963 0.72 SMN1; SMN2 (0.51) HSD17B10METMEN1KMT2AUSP2
SCHEMBL10685758 0.72 CTSS (0.48) KDM4EHSD17B10POLBCYP3A4PDE4D
SCHEMBL10683598 0.70 PARP1 (0.43) KDM4EHSD17B10POLBCYP3A4CYP2C9
SCHEMBL11373461 0.68 MAPT (0.39) KDM4EPOLBCHEK1NEK2LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738961-A FUNGICIDES SANKYO COMPANY, LIMITED (JP) 1988-04-19 — — US disclosed
EP-0072238-B1 PYRIDAZINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN AGRICULTURAL COMPOSITIONS AND THE TREATMENT OF SEED AND PLANTS SANKYO COMPANY LIMITED (JP) 1985-11-06 — — EP disclosed
EP-0072238-A1 Pyridazinone derivatives, their preparation and their use in agricultural compositions and the treatment of seed and plants SANKYO COMPANY LIMITED (JP) 1983-02-16 — — EP disclosed
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