SCHEMBL28296835

SCHEMBL28296835

NC(=O)CCC(c1ccncc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.58
EPHX2 P34913 6/20 0.53
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
KCNA5 P22460 2/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40

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
SCHEMBL17596760 0.94 TBXAS1 (0.60) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775812 0.79 TBXAS1 (0.65) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL2091811 0.79 HRH1 (0.52) EPHX2CYP2C19LMNASMN1; SMN2SLC6A3
SCHEMBL17591689 0.78 LMNA (0.54) TBXAS1CYP2C19LMNAGRM8GRM4
SCHEMBL3431967 0.78 TBXAS1 (0.44) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775857 0.78 TBXAS1 (0.63) TBXAS1EPHX2CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL28569021 0.77 HRH1 (0.50) EPHX2CYP2C19LMNASMN1; SMN2SLC6A3
SCHEMBL28085892 0.75 TBXAS1 (0.49) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL8775861 0.74 TBXAS1 (0.56) TBXAS1EPHX2CYP2C9CYP2C19LMNA
SCHEMBL2203786 0.73 CYP2C19 (0.56) EPHX2CYP2C19LMNASMN1; SMN2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed