SCHEMBL30189285

SCHEMBL30189285

C=C(C(=O)OC)C(O)c1ccc(C(F)F)cn1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
HPGD P15428 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
CASP1 P29466 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22615180 0.84 APLNR (0.43)
SCHEMBL29301529 0.82 RAB9A (0.39) CASP1MEN1MAPTKMT2A
SCHEMBL22615141 0.81 PTK2 (0.40) P2RX3P2RX2CASP1MEN1KMT2A
SCHEMBL21355063 0.81 RAB9A (0.37) MEN1MAPTKMT2A
SCHEMBL30189323 0.81 SMARCA2 (0.34)
SCHEMBL27972595 0.78 HDAC3 (0.39) HPGDCASP1
SCHEMBL21355295 0.77 CACNA1G (0.40) CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL9107644 0.77 HDAC1 (0.41) P2RX7HPGDP2RX3P2RX2CASP1
SCHEMBL9109370 0.75 KCNQ3 (0.38) KCNH2HPGDCASP1MEN1KMT2A
SCHEMBL24586223 0.75 CYP3A4 (0.41) HPGDCASP1MEN1MAPTKMT2A

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-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP disclosed