SCHEMBL9719801

SCHEMBL9719801

c1ccc(CNc2ccc(OCc3ccccn3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.63
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
GAA P10253 3/20 0.61
KMT2A Q03164 3/20 0.61
TP53 P04637 2/20 0.61
BLM P54132 2/20 0.61
ATM Q13315 1/20 0.61
MAOA P21397 3/20 0.57
MAOB P27338 3/20 0.57
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MRGPRX1 Q96LB2 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL9719832 0.85 F2 (0.58) F2MAPTMEN1GAAKMT2A
SCHEMBL11838896 0.82 MAPT (0.84) F2MAPTMEN1GAAKMT2A
SCHEMBL22967626 0.82 ALDH1A1 (0.55) MAOAMAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL6445371 0.79 KCNH2 (0.67) MEN1KMT2AMAOBALDH1A1KDM4E
SCHEMBL9719852 0.79 ALDH1A1 (0.48) F2MAPTMEN1GAAKMT2A
SCHEMBL9719782 0.79 ERBB2 (0.53) MAPTKMT2AALDH1A1
SCHEMBL23537856 0.78 SMN1; SMN2 (0.58) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL9304271 0.78 PARP10 (0.59) MAOAMAOBCA12CA1CA2
SCHEMBL6977226 0.78 ALDH1A1 (0.58) MAOBALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL2560907 0.78 CYSLTR1 (0.67) F2MAPTMEN1GAAKMT2A

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