SCHEMBL7991561

SCHEMBL7991561

Cc1cccc(Cn2cnc3[nH]c(-c4cccc(N)c4)nc(=O)c32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GFER P55789 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TSHR P16473 4/20 0.41
HTT P42858 1/20 0.41
PARN O95453 1/20 0.39
CNOT7 Q9UIV1 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
ACP1 P24666 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
SCHEMBL7985238 0.91 LMNA (0.43) HPGDALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL7984427 0.91 HPGD (0.44) HPGDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7974270 0.91 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7984663 0.89 CNOT7 (0.49) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL7988962 0.89 GRIN1 (0.44) HPGDALDH1A1SMN1; SMN2LMNACYP11B1
SCHEMBL7975243 0.89 HTT (0.44) HPGDALDH1A1SMN1; SMN2MAPTTP53
SCHEMBL7974249 0.89 ALDH1A1 (0.41) HPGDALDH1A1SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL7987663 0.89 CNOT7 (0.48) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL7988597 0.89 PARN (0.48) HPGDALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7991568 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HTTPARNCNOT7ADORA2A

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