SCHEMBL7988495

SCHEMBL7988495

CCn1cnc2[nH]c(-c3ccccc3)nc(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.46
ADORA3 P0DMS8 1/20 0.46
BRD4 O60885 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
ADORA2A P29274 4/20 0.41
PDE5A O76074 1/20 0.40
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL7985002 0.90 ADORA2B (0.48) ADORA2BADORA3ALDH1A1KDM4ECYP1A2
SCHEMBL7988254 0.87 ADORA2B (0.50) ADORA2BADORA3ALDH1A1KDM4ECYP1A2
SCHEMBL7985382 0.86 ADORA2B (0.46) ADORA2BALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7984499 0.86 ADORA2A (0.43) ADORA2BADORA3ALDH1A1ADORA1ADORA2A
SCHEMBL7975271 0.85 CNOT7 (0.56) ADORA2BADORA3BRD4ALDH1A1HPGD
SCHEMBL7974067 0.85 ADORA2B (0.46) ADORA2BALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7974620 0.83 CNOT7 (0.58) ADORA2BALDH1A1KDM4ETSHRMAPK1
SCHEMBL7984720 0.83 CNOT7 (0.48) ADORA2BADORA3ALDH1A1CYP1A2CYP3A4
SCHEMBL7984791 0.83 SMN1; SMN2 (0.45) ALDH1A1CYP3A4TSHRPARNCNOT7
SCHEMBL7991406 0.81 CNOT7 (0.49) ALDH1A1HPGDMAPK1PARNCNOT7

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