SCHEMBL9719867

SCHEMBL9719867

CNc1ccc([S+]([O-])Cc2ccccn2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 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
SCHEMBL9719802 0.80 SYK (0.50) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL6979593 0.72 ERBB2 (0.59) GAAEGFRERBB2STK4STK3
SCHEMBL9719845 0.71 METAP2 (0.44) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL11263547 0.70 HRH1 (0.42) MAPTALDH1A1LMNAHRH3TAAR1
SCHEMBL11186796 0.70 ATM (0.43) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL11188068 0.67 NPC1 (0.46) MAPTALDH1A1KMT2AHPGDMEN1
SCHEMBL11253725 0.66 MAOA (0.43) MAPTALDH1A1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL9756590 0.66 HRH1 (0.42) MAPTALDH1A1KMT2ALMNAHRH3
SCHEMBL4612152 0.65 HRH3 (0.46) MAPTALDH1A1KMT2ALMNAHRH3
SCHEMBL28140567 0.65 HRH3 (0.46) MAPTALDH1A1KMT2ALMNAHRH3

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