SCHEMBL9858367

SCHEMBL9858367

Fc1ccc(Oc2ccnc3ncccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.45
▸ LMNA P02545 2/20 0.42
▸ PDGFRA P16234 3/20 0.41
▸ KDR P35968 2/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MET P08581 2/20 0.39
▸ SCN9A Q15858 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
SCHEMBL1616049 0.80 LMNA (0.48) LMNAPDGFRAKDRCYP1A2CYP2C9
SCHEMBL27303568 0.80 KDR (0.49) LMNAPDGFRAKDRCYP1A2CYP2C9
SCHEMBL7467432 0.78 KDM4E (0.47) PDGFRAKDRTRPA1CYP1A2CYP3A4
SCHEMBL9598026 0.75 MEN1 (0.43) LMNAPDGFRAKDRTRPA1CYP1A2
SCHEMBL7467603 0.75 AR (0.49) LMNAPDGFRAKDRTRPA1CYP1A2
SCHEMBL9343289 0.74 KMT2A (0.40) LMNAKDRTRPA1CYP1A2CYP3A4
SCHEMBL1415534 0.74 L3MBTL1 (0.42) LMNACA12CA1CA2CA9
SCHEMBL9343291 0.74 TGFBR1 (0.44) LMNATRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL7460943 0.73 PDGFRA (0.56) PDGFRAKDRMET
SCHEMBL9858688 0.73 HCAR3 (0.47) HCAR2LMNAKDM4EHTTSCN9A

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
JP-3086881-A — — None — — JP disclosed
JP-H0386881-A NAPHTHYLIDINE DERIVATIVE ELI LILLY & CO 1991-04-11 — — JP disclosed
EP-0410762-A1 Naphthyridine derivatives DowElanco (US) 1991-01-30 — — EP disclosed
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