SCHEMBL9302519

SCHEMBL9302519

CC(C)c1[c]c(-c2ccc(F)cc2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 1/20 0.39
SCN9A Q15858 4/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 2/20 0.38
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8703691 0.89 ACP1 (0.41) ADORA2AKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL9302391 0.82 APP (0.42) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL7562774 0.73 ADORA2A (0.43) ADORA2ATNKSTNKS2PARP2KMT2A
SCHEMBL9301099 0.72 FABP3 (0.48) KMT2AALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL526301 0.72 PRKAA2 (0.49) ADORA2ATNKSTNKS2PARP2KMT2A
SCHEMBL7562637 0.72 GCGR (0.44) ADORA2AKMT2ASCN9AMEN1MAPK14
SCHEMBL8846697 0.70 DHODH (0.40)
SCHEMBL8846284 0.70 MAPT (0.43) ADORA2AKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL7557410 0.69 P2RX3 (0.33) ADORA2AMAPK10MAPK14
SCHEMBL7592397 0.69 ADORA2A (0.38) ADORA2AALDH1A1SMN1; SMN2MAPTMAPK10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369109-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-11-29 US claimed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP claimed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US claimed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP claimed
EP-0475627-B1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEM RES (JP) 1994-10-19 EP disclosed
US-5276154-A Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-04 US disclosed
EP-0475627-A1 Optically active esters of 7-substituted 3,5-difunctionalized 6-heptenoic acids SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-03-18 EP disclosed