SCHEMBL9719788

SCHEMBL9719788

Nc1cc(Cl)c(SCc2ccccn2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2E1 P05181 2/20 0.43
CYP2C8 P10632 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
CCR2 P41597 2/20 0.40
KMT2A Q03164 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL9719813 0.82 SYK (0.52) SYKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9719793 0.79 CCR2 (0.43) SYKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9719846 0.77 CCR2 (0.41) SYKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9719840 0.76 CYP1A2 (0.48) SYKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9719845 0.73 METAP2 (0.44) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL11177471 0.71 GRM5 (0.50) SYKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5658228 0.71 CYP1A2 (0.52) SYKSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6640022 0.70 RAB9A (0.49) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL9756602 0.69 RAB9A (0.60) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL3388873 0.68 L3MBTL1 (0.54) SMN1; SMN2NPC1RAB9AMAPTKDM4E

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