SCHEMBL7985288

SCHEMBL7985288

Oc1nc(-c2ccccn2)nc2ncn(CCc3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
METAP1 P53582 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
JAK2 O60674 1/20 0.40
PPP1CA P62136 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.40
CNOT7 Q9UIV1 6/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
METAP2 P50579 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HPGDS O60760 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL7988802 0.93 NPC1 (0.44) NPC1RAB9ASMN1; SMN2METAP1TDP1
SCHEMBL7985492 0.88 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2METAP1TDP1
SCHEMBL7974615 0.85 ADORA2A (0.44) HTTCNOT7ALDH1A1
SCHEMBL7991678 0.83 HTT (0.40) RAB9ASMN1; SMN2KMT2AHTTCNOT7
SCHEMBL7974276 0.82 HTT (0.39) HTTCNOT7ALDH1A1
SCHEMBL7986327 0.81 NPC1 (0.43) NPC1RAB9AL3MBTL1KMT2AHTT
SCHEMBL7973871 0.80 ADORA3 (0.40) HTTCNOT7ALDH1A1
SCHEMBL7991532 0.79 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2METAP1TDP1
SCHEMBL7974053 0.79 MET (0.44) TDP1MCL1KDM4EF2F12
SCHEMBL7984406 0.79 CASR (0.43) HTTCNOT7ALDH1A1

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