SCHEMBL9757401

SCHEMBL9757401

O=S1(=O)c2cccc3c(Cl)cc(Cl)c(c23)N1CCCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.38
DRD2 P14416 7/20 0.38
HTR2A P28223 7/20 0.38
HTR7 P34969 7/20 0.38
HTR6 P50406 7/20 0.38
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL9757489 0.80 HTR7 (0.46) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9873403 0.76 PARP1 (0.48)
SCHEMBL9757237 0.74 HTR1A (0.34) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757223 0.71 KDM4E (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9635395 0.71 KDM4E (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757630 0.68 KDM4E (0.71) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757308 0.68 HTR7 (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9757335 0.65 HDAC3 (0.43) HTR7KDM4EHSD17B10ALDH1A1TDP1
SCHEMBL5120710 0.64 CA9 (0.72) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9826952 0.63 CA9 (0.73) HTR1ADRD2HTR2AHTR7HTR6

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
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed