SCHEMBL31424754

SCHEMBL31424754

Cc1nc2c(-c3ccccc3F)cc(CO)cc2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.42
PARP1 P09874 3/20 0.40
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SCD O00767 1/20 0.36
ALPI P09923 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
FFAR1 O14842 1/20 0.34

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
SCHEMBL31424818 0.88 DHODH (0.37) DHODHPARP1MGAMGAASI
SCHEMBL31424804 0.85 DHODH (0.41) DHODHPARP1
SCHEMBL31424859 0.83 BRD4 (0.41) DHODHPARP1TNKSTNKS2
SCHEMBL30979325 0.82 PARP1 (0.50) DHODHPARP1
SCHEMBL31424735 0.81 ADORA3 (0.41) DHODHPARP1MGAMGAASI
SCHEMBL31424741 0.81 BRD4 (0.40) PARP1
SCHEMBL31424761 0.78 BRD4 (0.47) DHODHPARP1
SCHEMBL31424796 0.78 MKNK1 (0.42) DHODH
SCHEMBL31424624 0.76 SLC2A1 (0.40) PARP1GAAADORA1TNKSTNKS2
SCHEMBL30979344 0.74 HTT (0.41) PARP1

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-120020129-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-05-20 CN disclosed
CN-119431314-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-02-14 CN disclosed