SCHEMBL8413640

SCHEMBL8413640

CCCN1C(N2CCN(c3ccccc3F)CC2)C(O)c2c(OC)cccc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR7 P34969 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL8410572 0.90 KMT2A (0.42) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8413103 0.88 L3MBTL1 (0.41) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL8411656 0.82 L3MBTL1 (0.42) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL8409839 0.79 KMT2A (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8412352 0.79 CYP2D6 (0.47) KMT2ACYP2C19DRD2SMN1; SMN2ALDH1A1
SCHEMBL8413001 0.79 L3MBTL1 (0.41) MEN1KMT2ACYP1A2CYP2C19DRD2
SCHEMBL8413732 0.77 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8412330 0.76 TYR (0.41) KMT2ANPSR1DRD2SMN1; SMN2MAPK1
SCHEMBL6997228 0.74 HTR7 (0.49) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8413751 0.74 HTR7 (0.46) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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