SCHEMBL28934784

SCHEMBL28934784

Clc1nnc(Cl)c2c1CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 2/20 0.31
GLA P06280 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24379631 1.00 NSD2 (0.35) NSD2MAPK1KDM4EHTTGLA
SCHEMBL30932816 1.00 NSD2 (0.35) NSD2MAPK1KDM4EHTTGLA
SCHEMBL587789 0.97 MAPK1 (0.37) NSD2MAPK1KDM4EHTTGLA
SCHEMBL581560 0.90 MAPK1 (0.32) NSD2MAPK1KDM4EACHEMEN1
SCHEMBL30932858 0.82 NSD2 (0.31) NSD2MAPK1
SCHEMBL13534296 0.82 ACHE (0.34) NSD2MAPK1ACHEMEN1KMT2A
SCHEMBL1205725 0.77 GOT1 (0.41) KDM4E
SCHEMBL6932370 0.77 ALDH1A1 (0.33) KDM4EHTTGLA
SCHEMBL13534066 0.76 ACHE (0.33) MAPK1ACHEMEN1KMT2A
SCHEMBL30932856 0.76

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
CN-118234711-A Cyclopyridazine compounds 尼科治疗有限公司 2024-06-21 CN disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed