SCHEMBL23501672

SCHEMBL23501672

O=C(O)c1cncc(OCC2CC(F)(F)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCAR2 Q8TDS4 4/20 0.41
GPR88 Q9GZN0 1/20 0.39
GCK P35557 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1H O95180 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DDO Q99489 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL29933848 1.00 MEN1 (0.43) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL23501656 0.86 ATM (0.44) GPR88CACNA1H
SCHEMBL31364792 0.86 ATM (0.44) GPR88CACNA1H
SCHEMBL29933864 0.84 NR1H4 (0.49) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL23501666 0.84 NR1H4 (0.49) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL23501677 0.81 P2RX3 (0.37) GPR88GCKNR1H4
SCHEMBL23501647 0.79 HCAR2 (0.44) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL29933977 0.79 HCAR2 (0.44) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL31475515 0.71 PARP15 (0.60)
SCHEMBL23501708 0.71 MEN1 (0.47) MEN1KMT2AHTTGFERHSD17B10

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
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 WO disclosed