SCHEMBL7984484

SCHEMBL7984484

NC(=O)c1c(N)ncn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.50
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CHEK2 O96017 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
ADORA2A P29274 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CYP19A1 P11511 1/20 0.41
NR1I2 O75469 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC2A1 P11166 1/20 0.39
CYP17A1 P05093 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
SCHEMBL5483136 0.91 PKM (0.59) PKMCYP11B1CYP11B2GAATSHR
Hydrochloric Acid SCHEMBL7987445 0.90 PKM (0.57) PKMCYP11B1CYP11B2GAATSHR
SCHEMBL7987743 0.84 SCD (0.50) PKMCYP11B1CYP11B2GAATSHR
SCHEMBL7984250 0.83 PARP10 (0.53) PKMGAATSHR
SCHEMBL7987690 0.83 PKM (0.43) PKMCYP11B1CYP11B2GAATSHR
SCHEMBL7988530 0.83 SMN1; SMN2 (0.46) PKMCYP11B1CYP11B2GAATSHR
SCHEMBL7991782 0.82 PRKAG1 (0.43) PKMGAATSHRADORA2AADRA1D
SCHEMBL7987490 0.81 ADORA2A (0.44) PKMGAATSHRADORA2ACYP19A1
Hydrochloric Acid SCHEMBL7991220 0.80 PKM (0.42) PKMCYP11B1GAATSHRCCNC
SCHEMBL7987441 0.80 MEN1 (0.49) CYP11B1CYP11B2GAACYP19A1

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