SCHEMBL30101970

SCHEMBL30101970

Nc1c(C(=O)O)cc(-c2ccc(C(F)(F)F)cc2)nc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.52
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ NTRK1 P04629 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ KDR P35968 2/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PARP1 P09874 1/20 0.42

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
SCHEMBL23950691 1.00 DHODH (0.52) DHODHMAPTLMNAXBP1SMN1; SMN2
SCHEMBL23390311 0.87 DHODH (0.47) DHODHLMNAKDM4EHTT
SCHEMBL30101958 0.82 MAPT (0.45) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL23951108 0.82 MAPT (0.45) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL23951132 0.82 MAPT (0.45) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL23390607 0.79 KMT2A (0.47) KMT2ARXFP1
SCHEMBL28761425 0.78 CHEK1 (0.45) MAPTTP53POLBKDM4EKDR
SCHEMBL21001306 0.78 KMO (0.50) DHODHMAPTLMNAXBP1SMN1; SMN2
SCHEMBL25404965 0.77 AHR (0.52) DHODHMAPTKDR
SCHEMBL23390095 0.76 CFTR (0.53) KDM4E

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-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 — — CN disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 — — CN disclosed
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