SCHEMBL7987704

SCHEMBL7987704

CNCCc1nc(O)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.43
TNF P01375 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ATM Q13315 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PARN O95453 1/20 0.39
CNOT7 Q9UIV1 1/20 0.39
YTHDC1 Q96MU7 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.38
ADORA2B P29275 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
PDE4A P27815 1/20 0.36

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
Hydrochloric Acid SCHEMBL7987860 0.99 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
SCHEMBL7988839 0.94 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
Hydrochloric Acid SCHEMBL7975098 0.93 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
SCHEMBL7984365 0.88 HPGD (0.45) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
SCHEMBL7989407 0.88 HPGD (0.44) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
Hydrochloric Acid SCHEMBL7992066 0.87 HPGD (0.44) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
SCHEMBL7985701 0.86 HPGD (0.45) SMN1; SMN2ALDH1A1HPGDPARNCNOT7
SCHEMBL7987609 0.84 PDE4A (0.43) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
SCHEMBL7985637 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1
SCHEMBL7975252 0.84 HPGD (0.45) SMN1; SMN2ALDH1A1HPGDTNFCYP11B1

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