SCHEMBL9685655

SCHEMBL9685655

[O-][S+]1CNc2ccc(Cc3ccc(Cl)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
HTT P42858 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AB1 P08238 1/20 0.30
LTA4H P09960 3/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC6A3 Q01959 1/20 0.30
LMNA P02545 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL9685732 0.81 LTA4H (0.42) LTA4HSIGMAR1
SCHEMBL7756747 0.76
SCHEMBL9483366 0.74 SRD5A2 (0.41) HTTKMT2A
SCHEMBL9685789 0.73 SKP2 (0.41) HTTSIGMAR1CYP3A4CYP2D6CYP2C9
SCHEMBL8114298 0.72 HRH1 (0.37) SIGMAR1CYP2D6CYP2C19
SCHEMBL9686026 0.69 LTA4H (0.35) HTR2CHTR2BMEN1MAPTKMT2A
SCHEMBL7761674 0.68 CYP1A2 (0.41) SIGMAR1CYP2D6CYP2C9CYP2C19
SCHEMBL7756732 0.68 DRD2 (0.45) LTA4HSIGMAR1SLC6A4SLC6A3
SCHEMBL9685893 0.67 CNR2 (0.36)
SCHEMBL7761424 0.65 SIGMAR1 (0.46) MEN1MAPTKMT2ASIGMAR1SLC6A4

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