SCHEMBL7985319

SCHEMBL7985319

NCCCc1nc(O)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.40
DPP4 P27487 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TNF P01375 1/20 0.40
KMT2A Q03164 1/20 0.39
GAA P10253 2/20 0.37
PARN O95453 1/20 0.37
CNOT7 Q9UIV1 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2B P29275 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA2A P29274 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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 SCHEMBL7987745 0.99 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDDPP4CYP11B1
SCHEMBL7985637 0.93 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDDPP4CYP11B1
Hydrochloric Acid SCHEMBL7987616 0.91 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDDPP4CYP11B1
SCHEMBL7987609 0.88 PDE4A (0.43) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7988099 0.87 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDDPP4CYP11B1
SCHEMBL7989566 0.87 HPGD (0.41) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2
SCHEMBL7989407 0.86 HPGD (0.44) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7987467 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDDPP4CYP11B1
SCHEMBL7988839 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7975098 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDCYP11B1CYP11B2

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