SCHEMBL9723132

SCHEMBL9723132

O=Cc1c(C(F)(F)F)nc[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ PARP1 P09874 8/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ KDM5B Q9UGL1 2/20 0.32
▸ PDPK1 O15530 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ KHK P50053 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ SLC6A4 P31645 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
SCHEMBL22139858 0.75 HPGD (0.44) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL4960890 0.75 HPGD (0.32) HPGDPARP1KDM5B
SCHEMBL9340305 0.73 HPGD (0.43) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL8507626 0.73 HPGD (0.43) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL9723032 0.73 HPGD (0.47) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL4231028 0.73 HPGD (0.67) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL9582021 0.73 HPGD (0.47) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL9723069 0.70 HPGD (0.44) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL31348773 0.69 HPGD (0.37) HPGDPARP1ALDH1A1PIM1PIM3
SCHEMBL9339551 0.69 HPGD (0.40) HPGDPARP1ALDH1A1PIM1PIM3

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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