SCHEMBL7210767

SCHEMBL7210767

CCCNc1nc(-c2ccccc2)ncc1C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
LMNA P02545 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MAPT P10636 2/20 0.66
MAPK1 P28482 2/20 0.66
ATM Q13315 1/20 0.66
RAB9A P51151 3/20 0.65
TP53 P04637 2/20 0.65
NPC1 O15118 2/20 0.65
FOS P01100 4/20 0.61
JUN P05412 4/20 0.61
NFKB1 P19838 4/20 0.61
NFKB2 Q00653 4/20 0.61
RELA Q04206 4/20 0.61
CYP1A2 P05177 5/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 2/20 0.61
NPSR1 Q6W5P4 4/20 0.56

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
SCHEMBL12929684 0.92 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL11158474 0.90 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL11283968 0.90 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL11162706 0.90 ALDH1A1 (0.64) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL7210795 0.88 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL11164512 0.87 NPSR1 (0.67) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL5914410 0.86 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL7216937 0.86 PDE5A (0.53) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL11160403 0.86 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL11162029 0.86 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPTMAPK1

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 9 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
EP-0018139-B1 PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR PREPARING THE PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-04 EP disclosed
US-4301281-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid amides AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 US disclosed
US-4255568-A ANTIALLERGENS AND ANTISECRETORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-10 US disclosed
US-4236004-A 2-Alkylsulphonyl-7,8-dihydro-5-hydroxy-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-25 US disclosed
US-4233446-A 5-Chloro-7,8-dihydro-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-11 US disclosed
US-4215216-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-29 US disclosed