SCHEMBL7991634

SCHEMBL7991634

O=c1[nH]c(-c2cccc(O)c2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.42
ACP1 P24666 1/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
GSK3B P49841 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL7991667 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7985609 0.91 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7985787 0.90 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2AGRIN1
SCHEMBL7985332 0.90 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7985297 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7974245 0.88 HPGD (0.45) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7985359 0.88 GRIN1 (0.45) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7991645 0.88 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7987251 0.88 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDKMT2AACP1
SCHEMBL7988635 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDKMT2AACP1

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