SCHEMBL9719835

SCHEMBL9719835

CNc1cccc(OCc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
SYK P43405 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
GPR132 Q9UNW8 1/20 0.46
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL28807452 0.85 TLR4 (0.49) TLR4TLR2ALDH1A1MEN1KMT2A
SCHEMBL6977226 0.83 ALDH1A1 (0.58) APPALDH1A1SMN1; SMN2SYKKDM4E
SCHEMBL9719790 0.82 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL9719798 0.81 CYP1A2 (0.53) TLR4TLR2ALDH1A1MEN1KMT2A
SCHEMBL9719832 0.80 F2 (0.58) TLR4TLR2ALDH1A1MEN1KMT2A
SCHEMBL791890 0.80 FFAR1 (0.61) APPTLR4TLR2ABCB1HTR1A
SCHEMBL13645800 0.80 KDM4E (0.55) TLR4TLR2ALDH1A1MEN1KMT2A
SCHEMBL5188394 0.78 APP (0.74) APPALDH1A1MEN1KMT2AKDM4E
SCHEMBL22964159 0.78 TLR4 (0.53) APPTLR4TLR2ALDH1A1MEN1
SCHEMBL30490420 0.78 APP (0.74) APPALDH1A1MEN1KMT2AKDM4E

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