SCHEMBL9719845

SCHEMBL9719845

CNc1ccc(SCc2ccccn2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.44
CCR2 P41597 2/20 0.43
MAPT P10636 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GRM5 P41594 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9719793 0.81 CCR2 (0.43) METAP2CCR2MAPTNPC1RAB9A
SCHEMBL9719813 0.79 SYK (0.52) CCR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6979593 0.74 ERBB2 (0.59)
SCHEMBL9719846 0.74 CCR2 (0.41) METAP2CCR2MAPTNPC1RAB9A
SCHEMBL9719788 0.73 SYK (0.46) CCR2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9719867 0.71 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL27945846 0.71 CYP1A2 (0.59) METAP2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11177471 0.68 GRM5 (0.50) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5658228 0.68 CYP1A2 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9719840 0.67 CYP1A2 (0.48) METAP2MAPTNPC1RAB9ASMN1; SMN2

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