SCHEMBL18797679

SCHEMBL18797679

CN(C)c1nc2ccncc2c2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 13/20 0.54
LATS2 Q9NRM7 11/20 0.54
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 2/20 0.45
GLA P06280 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.36
AURKA O14965 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2458264 0.73 JAK2 (0.56) LATS1LATS2
SCHEMBL20547772 0.70 LATS1 (1.00) LATS1LATS2ALDH1A1TSHRCYP1A2
SCHEMBL20887571 0.67 CCNC (0.41) LATS1LATS2MEN1KMT2ACSNK2A2
SCHEMBL25461085 0.66 MAPK10 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21297743 0.65 KIT (0.47) ALDH1A1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL11200595 0.65 GPR3 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28641926 0.65 KDM4C (0.41) LATS1LATS2ALDH1A1TSHRCYP3A4
SCHEMBL26074915 0.65 CSNK1D (0.46) LATS1LATS2ALDH1A1TSHRCYP1A2
SCHEMBL29239433 0.64 LATS1 (0.41) LATS1LATS2ALDH1A1TSHRCYP1A2
SCHEMBL22054633 0.64 DHODH (0.40) ALDH1A1CYP1A2HTTLMNAHPGD

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
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed