SCHEMBL9719846

SCHEMBL9719846

CCNc1cc(Cl)c(SCc2ccccn2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
NPC1 O15118 9/20 0.41
RAB9A P51151 9/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.39
SYK P43405 1/20 0.39
METAP2 P50579 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2E1 P05181 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2B6 P20813 2/20 0.37

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 0.87 CCR2 (0.43) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719788 0.77 SYK (0.46) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719813 0.74 SYK (0.52) CCR2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9719845 0.74 METAP2 (0.44) CCR2NPC1RAB9ASMN1; SMN2MAPT
Bromide SCHEMBL10628480 0.67 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL11177471 0.66 GRM5 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL27945846 0.66 CYP1A2 (0.59) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL5658228 0.66 CYP1A2 (0.52) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9719840 0.65 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9719871 0.65 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