SCHEMBL7985651

SCHEMBL7985651

CCc1nc(O)c2c(ncn2Cc2ccc3ccccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP19A1 P11511 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TRPA1 O75762 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ADORA2A P29274 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.36
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
PKM P14618 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7975252 0.86 HPGD (0.45) GAAALDH1A1SMN1; SMN2KMT2APKM
SCHEMBL7973934 0.84 CYP11B1 (0.45) PDE10ATRPA1GAAALDH1A1SMN1; SMN2
SCHEMBL7988129 0.84 MET (0.44) CYP1A2GAAALDH1A1SMN1; SMN2MET
SCHEMBL7974260 0.83 CYP11B1 (0.47) CYP1A2ADORA2AGAAALDH1A1SMN1; SMN2
SCHEMBL7984512 0.83 GAA (0.50) ADORA2AGAAKMT2A
SCHEMBL7987434 0.83 CYP11B1 (0.42) CYP1A2CYP19A1TRPA1ALDH1A1SMN1; SMN2
SCHEMBL7984208 0.82 MAPT (0.39) CYP1A2GAAALDH1A1SMN1; SMN2PKM
SCHEMBL7984754 0.82 SMN1; SMN2 (0.47) ADORA2AGAASMN1; SMN2
SCHEMBL7987782 0.82 NPC1 (0.44) CYP1A2PTGDR2GAAALDH1A1SMN1; SMN2
SCHEMBL7984526 0.81 MET (0.46) ALDH1A1SMN1; SMN2METKMT2AHPGD

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