SCHEMBL7988883

SCHEMBL7988883

CCc1nc(O)c2c(ncn2Cc2ccccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 3/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2C P18825 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL7984440 0.86 PDE4A (0.40) TP53ALDH1A1KMT2AMEN1LMNA
SCHEMBL7974271 0.85 TNF (0.46) SMN1; SMN2TP53TSHRALDH1A1LMNA
SCHEMBL7975252 0.83 HPGD (0.45) CYP11B1CYP11B2SMN1; SMN2TSHRALDH1A1
SCHEMBL7984788 0.81 CYP11B1 (0.45) CYP11B1CYP11B2SMN1; SMN2TP53TSHR
SCHEMBL7987434 0.80 CYP11B1 (0.42) CYP11B1CYP11B2SMN1; SMN2TP53TSHR
SCHEMBL7973934 0.79 CYP11B1 (0.45) CYP11B1CYP11B2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7987960 0.79 CYP11B1 (0.32) CYP11B1CYP11B2LMNA
SCHEMBL7985554 0.78 SMN1; SMN2 (0.41) SMN1; SMN2TP53TSHRALDH1A1KMT2A
SCHEMBL7974260 0.78 CYP11B1 (0.47) CYP11B1CYP11B2SMN1; SMN2TP53TSHR
SCHEMBL7985651 0.78 CYP1A2 (0.41) SMN1; SMN2ALDH1A1KMT2AGAA

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