SCHEMBL7975122

SCHEMBL7975122

COc1ccccc1-c1nc(O)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
USP2 O75604 1/20 0.41
CXCR2 P25025 1/20 0.41
BCL2L2 Q92843 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 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
SCHEMBL7974646 0.85 MAPK14 (0.47) GAATSHRCXCR2SMN1; SMN2MAPK1
SCHEMBL7985538 0.84 SMN1; SMN2 (0.43) GAATSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL7988602 0.84 GAA (0.45) GAATSHRTLR7LMNAMAPK1
SCHEMBL7974853 0.83 DPP4 (0.48) GAACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL7985225 0.82 GAA (0.48) GAACYP1A2CYP2D6CYP2C19CXCR2
SCHEMBL7985348 0.81 GAA (0.53) GAACYP1A2CYP2D6TSHRCYP2C19
SCHEMBL7988184 0.81 MET (0.42) TSHRSMN1; SMN2LMNAMAPK1TDP1
SCHEMBL7975267 0.80 SMN1; SMN2 (0.46) GAATSHRSMN1; SMN2LMNAHPGD
SCHEMBL7985870 0.80 GAA (0.50) GAATSHRMAPK1HSD17B10HPGD
SCHEMBL7974507 0.80 MET (0.46) GAASMN1; SMN2HPGDALDH1A1KDM4E

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