SCHEMBL7974513

SCHEMBL7974513

COc1ccc(Cc2nc3ncn(Cc4ccccc4)c3c(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 4/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 3/20 0.45
P2RX7 Q99572 2/20 0.44
TYMS P04818 1/20 0.43

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
SCHEMBL7985702 0.84 HPGD (0.50) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL7985230 0.84 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL7985339 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL7974521 0.83 ADORA3 (0.48) ADORA3ALDH1A1HPGDGAAKDM4E
SCHEMBL7987778 0.82 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL9905498 0.82 HPGD (0.47) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL7975251 0.82 SMN1; SMN2 (0.60) ADORA3SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7984363 0.81 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL7985680 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HPGDKMT2AKDM4E
Hydrochloric Acid SCHEMBL7992062 0.80 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDKMT2AGAA

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