SCHEMBL9879836

SCHEMBL9879836

CNC(=O)Cn1nc(-c2ccc(OCCCN(C)C)cc2)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GSK3B P49841 1/20 0.39
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ROCK1 Q13464 1/20 0.38
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HRH3 Q9Y5N1 2/20 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
Fumaric Acid SCHEMBL9236877 0.95 LSS (0.39) LSSGLAKDM4EHPGDALDH1A1
Fumaric Acid SCHEMBL9236879 0.95 LSS (0.39) LSSGLAKDM4EHPGDALDH1A1
SCHEMBL9876697 0.89 LSS (0.43) LSSKDM4EHPGDALDH1A1GSK3B
SCHEMBL9234584 0.89 LSS (0.46) LSSKDM4EHPGDALDH1A1GSK3B
SCHEMBL9877732 0.88 ALDH1A1 (0.53) LSSKDM4EHPGDALDH1A1GSK3B
SCHEMBL9876979 0.86 GAA (0.48) LSSKDM4EHPGDALDH1A1GSK3B
Fumaric Acid SCHEMBL10591933 0.84 LSS (0.41) LSSKDM4EHPGDALDH1A1GSK3B
SCHEMBL9234490 0.84 GSK3B (0.50) LSSKDM4EALDH1A1GSK3BCYP3A4
SCHEMBL9876891 0.83 LSS (0.44) LSSKDM4EHPGDALDH1A1GSK3B
Fumaric Acid SCHEMBL9237908 0.83 ALDH1A1 (0.48) LSSKDM4EHPGDALDH1A1GSK3B

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed