SCHEMBL7985637

SCHEMBL7985637

NCCc1nc(O)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TNF P01375 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
DPP4 P27487 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.40
PARN O95453 1/20 0.38
CNOT7 Q9UIV1 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ADORA2B P29275 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA2A P29274 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 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 SCHEMBL7987616 0.99 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TNFCYP11B1CYP11B2
SCHEMBL7985319 0.93 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TNFCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7987745 0.91 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TNFCYP11B1CYP11B2
SCHEMBL7988099 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TNFCYP11B1CYP11B2
SCHEMBL7988944 0.89 HTT (0.45) SMN1; SMN2ALDH1A1KMT2APARNCNOT7
SCHEMBL7988674 0.88 SMN1; SMN2 (0.43) SMN1; SMN2CYP11B1CYP11B2ADORA2A
Hydrochloric Acid SCHEMBL7987467 0.88 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TNFCYP11B1CYP11B2
SCHEMBL7989407 0.88 HPGD (0.44) SMN1; SMN2ALDH1A1TNFCYP11B1CYP11B2
SCHEMBL7975137 0.88 LMNA (0.42) SMN1; SMN2ALDH1A1CYP11B1CYP11B2HPGD
SCHEMBL7974304 0.88 MET (0.44) SMN1; SMN2ALDH1A1CYP11B1CYP11B2KMT2A

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