SCHEMBL7985236

SCHEMBL7985236

Cc1cccc(Cn2cnc3nc(-c4ccc(N)cc4)nc(O)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
ADORA2A P29274 3/20 0.40
ADORA1 P30542 1/20 0.40
HPGD P15428 4/20 0.39
TSHR P16473 4/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LTA4H P09960 1/20 0.37
SLC2A1 P11166 1/20 0.36
ALOX15 P16050 1/20 0.36
MMP13 P45452 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 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
SCHEMBL7974268 0.91 CYP11B1 (0.48) LMNAALDH1A1CYP11B1CYP11B2ADORA2A
SCHEMBL7991557 0.90 LMNA (0.43) LMNAALDH1A1CYP11B1CYP11B2ADORA2A
SCHEMBL7988567 0.90 HPGD (0.44) LMNAALDH1A1CYP11B1CYP11B2ADORA2A
SCHEMBL7988747 0.89 CYP11B1 (0.44) LMNAALDH1A1CYP11B1CYP11B2ADORA2A
SCHEMBL7974247 0.87 CYP11B1 (0.44) LMNAALDH1A1CYP11B1CYP11B2ADORA2A
SCHEMBL7985060 0.86 ADORA2A (0.39) LMNACYP11B1CYP11B2ADORA2AHPGD
SCHEMBL7975133 0.86 ADORA2A (0.50) ALDH1A1CYP11B1CYP11B2ADORA2AADORA1
Hydrochloric Acid SCHEMBL7985515 0.85 ADORA2A (0.49) ALDH1A1CYP11B1CYP11B2ADORA2AADORA1
SCHEMBL7975240 0.85 ALDH1A1 (0.42) LMNAALDH1A1CYP11B1CYP11B2HPGD
SCHEMBL7988958 0.85 ALDH1A1 (0.42) LMNAALDH1A1CYP11B1CYP11B2HPGD

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