SCHEMBL9268404

SCHEMBL9268404

Cn1nc(Cl)c(C#N)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
TDP1 Q9NUW8 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
GLA P06280 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
SCHEMBL16402575 0.80 KMT2A (0.37) HTTALDH1A1LMNATP53HPGD
SCHEMBL18703640 0.80 ALDH1A1 (0.38) HTTALDH1A1LMNATP53HPGD
SCHEMBL19193453 0.78 LMNA (0.34) HTTALDH1A1LMNATP53HPGD
SCHEMBL30988535 0.74 LMNA (0.33) HTTALDH1A1LMNATP53HPGD
SCHEMBL29044859 0.68 KDM4E (0.31) GAAKDM4E
SCHEMBL762724 0.65
SCHEMBL8871873 0.62 MEN1 (0.42) HTTALDH1A1LMNATP53HPGD
SCHEMBL31667221 0.61
SCHEMBL24973134 0.60
SCHEMBL21721486 0.60

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
JP-7304747-A None JP disclosed
JP-H07304747-A 3,5-DICHLORO-4-CYANO-1-METHYLPYRAZOLE AND PRODUCTION THEREOF NISSAN CHEM IND LTD 1995-11-21 JP disclosed