SCHEMBL9719832

SCHEMBL9719832

c1ccc(CNc2cccc(OCc3ccccn3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.58
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
FFAR1 O14842 1/20 0.55
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ROCK2 O75116 2/20 0.52
GRK2 P25098 2/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR132 Q9UNW8 1/20 0.50
BCHE P06276 1/20 0.48
ABCB1 P08183 2/20 0.47

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
SCHEMBL3230243 0.90 PPARA (0.54) F2MEN1ALDH1A1KMT2AFFAR1
SCHEMBL9719801 0.85 F2 (0.63) F2MEN1ALDH1A1KMT2AMAOA
SCHEMBL5310163 0.84 MEN1 (0.68) F2MEN1ALDH1A1KMT2AFFAR1
SCHEMBL9719835 0.80 APP (0.55) MEN1ALDH1A1KMT2AMAOAKDM4E
SCHEMBL28807452 0.80 TLR4 (0.49) MEN1ALDH1A1KMT2AMAOAMAOB
SCHEMBL7454134 0.80 CYSLTR1 (0.64) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL9719798 0.79 CYP1A2 (0.53) F2MEN1ALDH1A1KMT2AFFAR1
SCHEMBL9719782 0.78 ERBB2 (0.53) ALDH1A1KMT2AMAPTABCB1HTR1A
SCHEMBL9719852 0.78 ALDH1A1 (0.48) F2MEN1ALDH1A1KMT2AMAOA
SCHEMBL6727909 0.77 MAPK1 (0.70) F2MEN1ALDH1A1KMT2AFFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US claimed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US claimed
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