SCHEMBL9719828

SCHEMBL9719828

CCCCNc1ccc(O)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
CDK9 P50750 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CISD1 Q9NZ45 2/20 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
SCHEMBL1955524 0.76 IDO1 (0.46) IDO1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL9156403 0.76 NAAA (0.50) IDO1MAPTMEN1HTTKMT2A
SCHEMBL7398389 0.76 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2MEN1KMT2ACA1
SCHEMBL9719833 0.76 ALDH1A1 (0.55) KDM4ERAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL1161081 0.76 IDO1 (0.49) IDO1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL12599071 0.74 IDO1 (0.81) IDO1MAPTMAPK1MEN1HTT
SCHEMBL30824997 0.74 IDO1 (0.81) IDO1MAPTMAPK1MEN1HTT
SCHEMBL9363845 0.74 TLR8 (0.45) IDO1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL8176117 0.73 NR4A2 (0.54) KDM4ERAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL17732422 0.72 CYP19A1 (0.73) IDO1KDM4ERAB9ASMN1; SMN2MAPT

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