SCHEMBL9683218

SCHEMBL9683218

CC(CO)c1c(C(F)(F)F)nc[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ PNP P00491 11/20 0.34
▸ PDE2A O00408 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL9723056 0.83 HPGD (0.41) HPGDPARP1POLBPDE2AALDH1A1
SCHEMBL9582021 0.70 HPGD (0.47) HPGDPARP1ALDH1A1KDM5B
SCHEMBL22139858 0.68 HPGD (0.44) HPGDPARP1POLBALDH1A1KDM5B
SCHEMBL9723069 0.67 HPGD (0.44) HPGDPARP1ALDH1A1KDM5B
SCHEMBL9723117 0.67 HPGD (0.41) HPGDPARP1ALDH1A1KDM5B
SCHEMBL8507626 0.66 HPGD (0.43) HPGDPARP1ALDH1A1KDM5B
SCHEMBL9723032 0.66 HPGD (0.47) HPGDPARP1PNPALDH1A1KDM5B
SCHEMBL4231028 0.66 HPGD (0.67) HPGDPARP1POLBALDH1A1KDM5B
SCHEMBL4960743 0.64 CYP2C19 (0.32) —
SCHEMBL9723132 0.64 HPGD (0.41) HPGDPARP1ALDH1A1KDM5B

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-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 — — EP disclosed
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