SCHEMBL3373218

SCHEMBL3373218

Cln1c(C(Cl)(Cl)Cl)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TNF P01375 2/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE6D O43924 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
NOS2 P35228 1/20 0.38

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
SCHEMBL10457804 0.82 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EHPGDCYP2C9
SCHEMBL8799913 0.78 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL1422872 0.73 CYP11B2 (0.48) CNR2CYP2D6
SCHEMBL66294 0.72 SMN1; SMN2 (0.63) SMN1; SMN2KDM4ETNFNOD2NOD1
SCHEMBL2885907 0.71 HTT (0.55) SMN1; SMN2ALDH1A1KDM4ETNFLMNA
SCHEMBL31267409 0.70 TP53 (0.55)
SCHEMBL1416101 0.67 NOD1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDNOD1
SCHEMBL30218661 0.67 POLB (0.54) SMN1; SMN2ALDH1A1KDM4EHPGDTNF
SCHEMBL1422459 0.67 HPGD (0.50) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL23855754 0.65 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDNOD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP disclosed