SCHEMBL7992186

SCHEMBL7992186

Cc1cccc(Cn2cnc3nc(CCN)nc(O)c32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 6/20 0.39
TSHR P16473 5/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALOX15 P16050 1/20 0.36
MMP13 P45452 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
SYK P43405 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RECQL P46063 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
SCHEMBL7988660 0.91 CYP11B1 (0.49) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL7974260 0.87 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL7988674 0.87 SMN1; SMN2 (0.43) CYP11B1CYP11B2TAAR1HTTSMN1; SMN2
SCHEMBL7988533 0.87 TAAR1 (0.43) CYP11B1CYP11B2TAAR1
SCHEMBL7975137 0.86 LMNA (0.42) CYP11B1CYP11B2ALDH1A1TAAR1LMNA
SCHEMBL7985274 0.86 GAA (0.48) TAAR1ADORA2AADORA1GAAMEN1
SCHEMBL7985637 0.86 SMN1; SMN2 (0.43) CYP11B1CYP11B2ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL7987616 0.85 SMN1; SMN2 (0.42) CYP11B1CYP11B2ALDH1A1HPGDTSHR
SCHEMBL7988356 0.84 ALDH1A1 (0.44) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL7985236 0.81 LMNA (0.44) CYP11B1CYP11B2ALDH1A1LMNAHPGD

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