SCHEMBL9719793

SCHEMBL9719793

CNc1cc(Cl)c(SCc2ccccn2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.43
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.41
SYK P43405 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
METAP2 P50579 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2E1 P05181 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 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
SCHEMBL9719846 0.87 CCR2 (0.41) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719845 0.81 METAP2 (0.44) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719788 0.79 SYK (0.46) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719813 0.76 SYK (0.52) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719857 0.69 SYK (0.50) NPC1RAB9ASMN1; SMN2KDM4ESYK
SCHEMBL27945846 0.68 CYP1A2 (0.59) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL11177471 0.68 GRM5 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL5658228 0.68 CYP1A2 (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9719840 0.67 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9719871 0.67 DAO (0.41) CCR2NPC1RAB9ASMN1; SMN2MAPT

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