SCHEMBL8413528

SCHEMBL8413528

CCCN1C(N2CCN(c3ccc(F)cc3)CC2)C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPT P10636 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 6/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 4/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
HTR6 P50406 3/20 0.40

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
SCHEMBL8412378 0.86 TP53 (0.45) TP53MAPTKDM4EALDH1A1DRD2
SCHEMBL8413715 0.83 TP53 (0.40) TP53KDM4EALDH1A1DRD2DRD4
SCHEMBL8410169 0.82 HTR2C (0.47) KDM4EALDH1A1DRD2HTR2AHTR7
SCHEMBL8412328 0.77 NPC1 (0.41) TP53MAPTALDH1A1DRD2DRD4
SCHEMBL8410491 0.77 TP53 (0.40) TP53MAPTDRD2DRD4DRD3
SCHEMBL8413134 0.75 TP53 (0.39) TP53MAPTALDH1A1DRD2DRD4
SCHEMBL8413761 0.74 HTR7 (0.39) TP53MAPTALDH1A1DRD2DRD4
SCHEMBL8413371 0.74 TYR (0.41) MAPTKDM4EALDH1A1DRD2HTR1A
SCHEMBL8413093 0.74 L3MBTL1 (0.39) TP53MAPTKDM4EALDH1A1DRD2
SCHEMBL8410575 0.73 HTR7 (0.38) TP53DRD2DRD4DRD3HTR1A

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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed