SCHEMBL3430705

SCHEMBL3430705

CS(=O)(=O)c1ccccc1C(=O)N1CCN(c2cccnn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.57
EED O75530 1/20 0.57
LMNA P02545 2/20 0.54
ALDH1A1 P00352 5/20 0.50
NAAA Q02083 3/20 0.50
TRPV1 Q8NER1 2/20 0.49
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.42

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
SCHEMBL3432771 0.88 SLC6A7 (0.57) SLC6A7EEDLMNAALDH1A1TRPV1
SCHEMBL937239 0.81 LMNA (0.55) EEDLMNANAAA
SCHEMBL3429910 0.80 SLC6A7 (0.62) SLC6A7LMNAALDH1A1TRPV1NAMPT
SCHEMBL3408927 0.80 SLC6A7 (0.58) SLC6A7LMNAALDH1A1TRPV1NAMPT
SCHEMBL2007249 0.77 SCD (0.61) SLC6A7
SCHEMBL27702525 0.74 SLC6A7 (0.63) SLC6A7LMNAALDH1A1TRPV1NAMPT
SCHEMBL3432265 0.74 SLC6A7 (0.55) SLC6A7LMNAALDH1A1TRPV1NAMPT
SCHEMBL27638746 0.74 SCD (0.56)
SCHEMBL3434504 0.74 GAA (0.56) SLC6A7ALDH1A1TRPV1NAMPTKDM4E
SCHEMBL5318255 0.74 GAA (0.53) SLC6A7LMNAALDH1A1TRPV1NAMPT

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