SCHEMBL9048646

SCHEMBL9048646

COC(=O)c1cnc(NC(C)C)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 5/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.41
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CHEK1 O14757 1/20 0.38

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
Maleic Acid SCHEMBL9052358 0.92 RAB9A (0.43) RAB9ANPSR1NPC1MAPTLMNA
Fumaric Acid SCHEMBL9052362 0.92 RAB9A (0.43) RAB9ANPSR1NPC1MAPTLMNA
SCHEMBL8590367 0.76 RAB9A (0.47) RAB9ANPSR1NPC1MAPTLMNA
SCHEMBL840683 0.75 LMNA (0.50) RAB9ANPSR1NPC1MAPTLMNA
SCHEMBL8681274 0.75 MAPK1 (0.49) MAPTSMN1; SMN2ALDH1A1PKML3MBTL1
SCHEMBL8552983 0.73 GAA (0.45) RAB9ANPSR1NPC1MAPTLMNA
SCHEMBL21746957 0.73 NFKB1 (0.55) RAB9ANPSR1NPC1MAPTLMNA
SCHEMBL2221978 0.71 AHR (0.55) RAB9ANPC1LMNAALDH1A1SYK
SCHEMBL19453365 0.69 RAB9A (0.65) RAB9ANPSR1NPC1MAPTLMNA
SCHEMBL4174949 0.68 SMN1; SMN2 (0.58) RAB9ANPSR1NPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037513-C Pyrimidine compound and preparation method of medicinal salt thereof MITSUI PETROCHEMICAL IND (JP) 1998-02-25 CN disclosed
EP-0379806-B1 Pyrimidines and their pharmaceutical acceptable salts, and their use as medicines MITSUI PETROCHEMICAL IND (JP) 1996-04-10 EP disclosed
EP-0612746-A1 Pyrimidines and their pharmaceutical acceptable salts and their use as medicines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 EP disclosed
CN-1090846-A The preparation method of pyrimidines and its pharmaceutical salts MITSUI PETROCHEMICAL IND (JP) 1994-08-17 CN disclosed
US-5264435-A Treatment of neurological diseases MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed
US-5147876-A Nervous system disorders MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-09-15 US disclosed
CN-1045390-A Pyrimidine compound and preparation method and pharmaceutical use of pharmaceutical salt thereof MITSUI PETROCHEMICAL IND (JP) 1990-09-19 CN disclosed
EP-0379806-A2 Pyrimidines and their pharmaceutical acceptable salts, and their use as medicines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-08-01 EP disclosed