SCHEMBL29110221

SCHEMBL29110221

CCC(=O)Nc1nc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
SYK P43405 3/20 0.38
SORT1 Q99523 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL15635649 0.82 TAS2R14 (0.42) KDM4EALDH1A1LMNATAS2R14NPC1
SCHEMBL15638568 0.80 TLR7 (0.44) KDM4EALDH1A1LMNATAS2R14NPC1
SCHEMBL14319639 0.79 KDM6B (0.47) KDM4EALDH1A1TAS2R14NPC1RAB9A
SCHEMBL15635192 0.78 TAS2R14 (0.43) LMNATAS2R14NPC1RAB9AGAA
SCHEMBL24761059 0.77 TAS2R14 (0.44) KDM4EALDH1A1LMNATAS2R14NPC1
SCHEMBL5063130 0.77 KDM6B (0.45) KDM4EALDH1A1CA12CA9
SCHEMBL15639327 0.77 TAS2R14 (0.42) KDM4EALDH1A1LMNATAS2R14NPC1
SCHEMBL15638939 0.76 TLR7 (0.45) LMNATAS2R14NPC1RAB9AGAA
SCHEMBL19371823 0.76 NPC1 (0.40) KDM4EALDH1A1SMN1; SMN2LMNATAS2R14
SCHEMBL6218067 0.75 ACLY (0.44) LMNATAS2R14NPC1RAB9AGAA

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
CN-116903613-A 2-oxo quinazoline five-membered heterocyclic derivative, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-10-20 CN disclosed