SCHEMBL7217020

SCHEMBL7217020

CN(Cc1ccccc1)C(=O)CNc1nc(-c2ccccc2)ncc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
PDE4B Q07343 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.42
ABCC1 P33527 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL7210407 0.89 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7212190 0.81 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11160675 0.78 MEN1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3255471 0.78 MEN1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7216937 0.76 PDE5A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7217021 0.76 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11162923 0.75 MEN1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5914393 0.74 MEN1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11162717 0.73 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11883425 0.72 PDE4B (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036794-B1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2003-08-27 EP disclosed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US disclosed
EP-1036794-A1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 2000-09-20 EP disclosed