SCHEMBL22322784

SCHEMBL22322784

Cn1nnc2nnccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
KEAP1 Q14145 1/20 0.42
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24668547 0.71 SLC9A1 (0.30) SLC9A1
SCHEMBL22337751 0.67 KEAP1 (0.39) SLC9A1KEAP1KDM4ENPC1RAB9A
SCHEMBL21676513 0.65
SCHEMBL22322875 0.64 SLC9A1 (0.36) SLC9A1KEAP1ALDH1A1
SCHEMBL22322755 0.64 KEAP1 (0.36) SLC9A1KEAP1KDM4ENPC1RAB9A
SCHEMBL23486198 0.63
SCHEMBL14438041 0.61 SLC9A1 (0.33) SLC9A1KEAP1KDM4EALDH1A1
SCHEMBL21676509 0.60 MAPT (0.36) KDM4EALDH1A1
SCHEMBL30323275 0.59
SCHEMBL24668537 0.58 HTR6 (0.32)

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
WO-2020161208-A1 HERBICIDAL FUSED PYRIDAZINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed
WO-2020161208-A1 HERBICIDAL FUSED PYRIDAZINE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed