SCHEMBL4640948

SCHEMBL4640948

Nc1cnc2c(F)cccc2c1.Nc1cnc2cc(F)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL4157022 0.86 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4159996 0.84 PDGFRB (0.51) PDGFRBPDGFRABACE1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL25214964 0.83 PDGFRB (0.50) PDGFRBPDGFRABACE1KDM4ESMN1; SMN2
SCHEMBL845999 0.71 BACE1 (0.50) PDGFRBPDGFRABACE1KDM4ESMN1; SMN2
SCHEMBL1073946 0.70 CCR1 (0.52) KDM4ESMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL31058344 0.70 CCR1 (0.52) KDM4ESMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL7082437 0.70 ABCG2 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31378821 0.69 ALDH1A1 (0.37) BACE1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL30241100 0.69 CYP17A1 (0.34) KDM4ENPC1L3MBTL1CASP3SENP8
SCHEMBL14678 0.69 CYP1A2 (0.57) PDGFRBPDGFRAKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943234-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051982-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2007-05-10 WO disclosed