SCHEMBL7991817

SCHEMBL7991817

Cc1ccccc1Cn1cnc(NC(=O)c2ccccc2)c1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
P2RY14 Q15391 3/20 0.47
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 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
SCHEMBL7984751 0.86 NTRK1 (0.46) KDM4EHPGDALDH1A1P2RY14MAPT
SCHEMBL7985416 0.86 LMNA (0.50) KDM4EHPGDALDH1A1P2RY14SMN1; SMN2
SCHEMBL7984433 0.85 SMN1; SMN2 (0.47) KDM4EHPGDALDH1A1CYP11B1CYP11B2
SCHEMBL7975241 0.84 GAA (0.50) SMN1; SMN2POLBLMNARXFP1
SCHEMBL7974516 0.83 HTT (0.43) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL7989385 0.81 PPARG (0.47) KDM4EHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL7974581 0.81 LMNA (0.51) HPGDALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL9714613 0.80 CYP11B1 (0.50) KDM4EALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL7984694 0.80 NR1H4 (0.53) ALDH1A1LMNARXFP1AURKA
SCHEMBL7973841 0.80 RAB9A (0.47) ALDH1A1P2RY14LMNARXFP1

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
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed