SCHEMBL9685789

SCHEMBL9685789

CCCCc1ccc2c(c1)[S+]([O-])CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.41
NISCH Q9Y2I1 1/20 0.36
HTR1D P28221 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CA2 P00918 2/20 0.35
HTT P42858 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
CYP4F11 Q9HBI6 1/20 0.34
CYP4F12 Q9HCS2 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL9204489 0.84 KDM4E (0.34) NISCHSMN1; SMN2HPGDCYP1A2ALDH1A1
SCHEMBL8114298 0.84 HRH1 (0.37) CYP2D6CYP1A2CYP2C19SIGMAR1
SCHEMBL6541584 0.84 SKP2 (0.37) SKP2HTR1DCA2CYP3A4HTR1A
SCHEMBL9437760 0.83 L3MBTL1 (0.41) SMN1; SMN2HPGDMAPK1NPSR1CYP1A2
SCHEMBL7756751 0.78 SIGMAR1 (0.44) SIGMAR1DRD2
SCHEMBL7765516 0.78 RECQL (0.31)
SCHEMBL27450752 0.73 SLC6A2 (0.32) HTR1A
SCHEMBL9484633 0.73 HSD17B3 (0.44) CA2HPGD
SCHEMBL9449426 0.73 SIGMAR1 (0.57) HTR1ASIGMAR1DRD2
SCHEMBL9685609 0.70 DRD2 (0.39) SKP2SMN1; SMN2CA2HTTNPC1

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed