SCHEMBL7987490

SCHEMBL7987490

NC(=O)c1c(N)ncn1Cc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
CTRB1 P17538 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ICMT O60725 4/20 0.40
VDR P11473 1/20 0.40
KLKB1 P03952 1/20 0.39
NR1I2 O75469 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FBP1 P09467 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 0.83 PKM (0.59) ADORA2AGAAPKMTSHRALDH1A1
Hydrochloric Acid SCHEMBL7987445 0.82 PKM (0.57) ADORA2AGAAPKMTSHRALDH1A1
SCHEMBL7984484 0.81 PKM (0.50) ADORA2AGAAPKMTSHRCYP19A1
SCHEMBL7987743 0.79 SCD (0.50) GAAPKMTSHRSMN1; SMN2
SCHEMBL7975372 0.79 ALDH1A1 (0.51) ADORA2AGAAPKMTSHRALDH1A1
SCHEMBL7974026 0.79 KDM4E (0.58) ADORA2AGAAPKMTSHRALDH1A1
SCHEMBL7974168 0.79 CDK9 (0.45) GAAPKMTSHRALDH1A1SMN1; SMN2
SCHEMBL7987598 0.79 RIOK2 (0.41) CTRB1MC4RMC5RALDH1A1SMN1; SMN2
SCHEMBL7984239 0.79 ADRA1D (0.52) ADORA2AMEN1KMT2A
SCHEMBL7984250 0.79 PARP10 (0.53) GAAPKMTSHRSMN1; SMN2

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