SCHEMBL7988657

SCHEMBL7988657

CCCc1nc2ncn(Cc3cccc(C)c3)c2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
TSHR P16473 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.40
MMP13 P45452 1/20 0.40
KDM1A O60341 1/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL7974255 0.91 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2ACYP11B1
SCHEMBL7992185 0.90 HPGD (0.45) HPGDALDH1A1SMN1; SMN2KMT2ACYP11B1
SCHEMBL7988482 0.88 PDE1A (0.46) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7991723 0.88 SMN1; SMN2 (0.49) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7989405 0.88 SMN1; SMN2 (0.57) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7989373 0.86 HPGD (0.46) HPGDALDH1A1SMN1; SMN2KMT2ACYP11B1
SCHEMBL7984130 0.86 GAA (0.52) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7988361 0.86 HPGD (0.47) HPGDALDH1A1SMN1; SMN2KMT2ACYP11B1
SCHEMBL7988665 0.83 ALDH1A1 (0.44) HPGDALDH1A1SMN1; SMN2KMT2ACYP11B1
SCHEMBL7985859 0.83 CNOT7 (0.49) HPGDALDH1A1SMN1; SMN2KMT2AHCAR2

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