SCHEMBL7984786

SCHEMBL7984786

Cc1ccccc1Cn1cnc2nc(-c3ccccc3)[nH]c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
POLB P06746 1/20 0.42
PDE5A O76074 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL7974079 0.86 ALDH1A1 (0.47) SMN1; SMN2HPGDALDH1A1KMT2APOLB
SCHEMBL7987219 0.86 ALDH1A1 (0.45) SMN1; SMN2HPGDALDH1A1KMT2APOLB
SCHEMBL7975265 0.84 SMN1; SMN2 (0.61) SMN1; SMN2HPGDALDH1A1KMT2ATNKS
SCHEMBL7984716 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HPGDALDH1A1KMT2ATNKS
SCHEMBL7988488 0.83 BRD4 (0.50) SMN1; SMN2HPGDALDH1A1KMT2ATNKS
SCHEMBL7988878 0.82 SMN1; SMN2 (0.46) SMN1; SMN2HPGDALDH1A1KMT2ATNKS2
SCHEMBL7984791 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KMT2ATNKSPARP1
SCHEMBL7974266 0.81 ALDH1A1 (0.50) SMN1; SMN2HPGDALDH1A1KMT2ACYP11B1
SCHEMBL7984998 0.81 PDE5A (0.52) SMN1; SMN2HPGDALDH1A1KMT2APOLB
SCHEMBL7985419 0.80 ALDH1A1 (0.44) SMN1; SMN2HPGDALDH1A1KMT2ATNKS

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