SCHEMBL9719802

SCHEMBL9719802

Nc1ccc([S+]([O-])Cc2ccccn2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HRH1 P35367 1/20 0.39
PRMT1 Q99873 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
CHRNA7 P36544 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35

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
SCHEMBL9719867 0.80 MAPT (0.40) MAOAMAOBCYP3A4CYP1A2CYP2C9
SCHEMBL11186796 0.72 ATM (0.43) SYKL3MBTL1CYP3A4CYP1A2CYP2D6
SCHEMBL18343654 0.71 SYK (0.55) SYKL3MBTL1MAOAMAOBHRH1
SCHEMBL11263547 0.70 HRH1 (0.42) SYKHRH1ALDH1A1CHRNA7RAB9A
SCHEMBL11188068 0.70 NPC1 (0.46) L3MBTL1ALDH1A1HPGDNPC1RAB9A
SCHEMBL20584182 0.70 MAOA (0.60) SYKL3MBTL1MAOAMAOBPRMT1
SCHEMBL29638125 0.70 SYK (0.78) SYKL3MBTL1GAA
SCHEMBL159323 0.70 SYK (0.78) SYKL3MBTL1GAA
SCHEMBL11253725 0.69 MAOA (0.43) MAOAMAOBHRH1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9756590 0.69 HRH1 (0.42) L3MBTL1MAOAMAOBHRH1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed