SCHEMBL9723069

SCHEMBL9723069

CSc1c(C(F)(F)F)nc[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ PARP1 P09874 9/20 0.42
▸ ALDH1A1 P00352 2/20 0.36
▸ PDPK1 O15530 3/20 0.35
▸ KDM5B Q9UGL1 3/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ CHEK1 O14757 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32

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
SCHEMBL9582021 0.77 HPGD (0.47) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL22139858 0.75 HPGD (0.44) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL8507626 0.73 HPGD (0.43) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL9340305 0.73 HPGD (0.43) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL4231028 0.73 HPGD (0.67) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL9723032 0.73 HPGD (0.47) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL9684178 0.71 HPGD (0.42) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL9723132 0.70 HPGD (0.41) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL9723117 0.70 HPGD (0.41) HPGDPARP1ALDH1A1PDPK1KDM5B
SCHEMBL9723056 0.70 HPGD (0.41) HPGDPARP1ALDH1A1PDPK1KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104878-A Insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-14 — — US disclosed
EP-0396250-A1 Pyrimidinone derivatives ZENECA LIMITED (GB) 1990-11-07 — — EP disclosed
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