SCHEMBL7984889

SCHEMBL7984889

Cc1ccc(Cn2cnc(NC(=O)c3cccnc3)c2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAMPT P43490 3/20 0.43
KDM4E B2RXH2 3/20 0.42
EGFR P00533 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
HCRTR2 O43614 1/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL7974555 0.90 HDAC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7984257 0.89 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT
SCHEMBL7992620 0.85 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7991586 0.83 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7984455 0.83 ABCB1 (0.54) NPC1SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL7985361 0.82 P2RY14 (0.52) ALDH1A1KDM4E
SCHEMBL7988677 0.81 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7974172 0.81 HDAC3 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7975241 0.80 GAA (0.50) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL7985033 0.79 NLRP3 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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