SCHEMBL7310378

SCHEMBL7310378

CS(=O)(=O)OCCCCn1c(=O)[nH]c(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
POLB P06746 1/20 0.42
DAO P14920 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNA3 P22001 1/20 0.38
MPO P05164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PGR P06401 1/20 0.38
RORA P35398 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
SCHEMBL11195247 0.81 POLB (0.65) HTR1APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7750879 0.80 PGR (0.55) PARP1HTR1ADRD2HTR2ADAO
SCHEMBL8205213 0.80 PER2 (0.49) HTR2AALDH1A1TSHRMAPK1HTT
SCHEMBL6028786 0.78 PGR (0.60) PARP1HTR1ADRD2HTR2ADAO
SCHEMBL29528989 0.78 PGR (0.60) PARP1HTR1ADRD2HTR2ADAO
SCHEMBL7305582 0.77 HTR1A (0.50) PARP1HTR1ADRD2HTR2APOLB
SCHEMBL7298333 0.77 ALDH1A1 (0.55) PARP1HTR1ADRD2HTR2ADAO
SCHEMBL7650175 0.77 PARP1 (0.50) PARP1HTR1ADRD2HTR2APOLB
SCHEMBL7649804 0.76 HTR1A (0.49) PARP1HTR1ADRD2HTR2APOLB
SCHEMBL6295463 0.76 PARP1 (0.50) PARP1HTR1ADRD2HTR2APOLB

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-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed