SCHEMBL3434504

SCHEMBL3434504

O=C(c1cccc(F)c1Cl)N1CCN(c2cccnn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
SLC6A7 Q99884 1/20 0.54
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
P2RX7 Q99572 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
HTT P42858 1/20 0.46
NAMPT P43490 2/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL5318255 0.83 GAA (0.53) GAASLC6A7ALDH1A1KDM4EHSD17B10
SCHEMBL3429910 0.78 SLC6A7 (0.62) GAASLC6A7ALDH1A1KDM4EL3MBTL1
SCHEMBL2007249 0.77 SCD (0.61) SLC6A7
SCHEMBL3433399 0.77 HSD17B10 (0.72) GAASLC6A7ALDH1A1KDM4EL3MBTL1
SCHEMBL5270927 0.75 SCD (0.58) SLC6A7ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL3408927 0.75 SLC6A7 (0.58) GAASLC6A7ALDH1A1KDM4EHSD17B10
SCHEMBL27702525 0.74 SLC6A7 (0.63) SLC6A7ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3432265 0.74 SLC6A7 (0.55) SLC6A7ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3430705 0.74 SLC6A7 (0.57) GAASLC6A7ALDH1A1KDM4EHSD17B10
SCHEMBL3432771 0.74 SLC6A7 (0.57) GAASLC6A7ALDH1A1KDM4EHSD17B10

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-2257291-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS Xenon Pharmaceuticals Inc. (CA) 2010-12-08 EP disclosed
WO-2009106991-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-09-03 WO disclosed