SCHEMBL10377686

SCHEMBL10377686

CCOC(=O)C1=C(C)N=C(C)NC1c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DHFR P00374 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41
ALPL P05186 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 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
SCHEMBL4636008 0.79 ALDH1A1 (0.41) MAPTKDM4EPOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL10377249 0.78 DHFR (0.63) MAPTKDM4EPOLBALDH1A1CYP1A2
SCHEMBL1617099 0.77 CACNA1C (0.58) MAPTKDM4EPOLBALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10375280 0.76 HTT (0.57) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL12716471 0.73 KDM4E (0.50) MAPTKDM4EPOLBRECQLALDH1A1
Hydrochloric Acid SCHEMBL10375255 0.71 ALDH1A1 (0.47) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2333730 0.71 HTT (0.59) MAPTKDM4EPOLBALDH1A1CYP3A4
SCHEMBL10377728 0.70 ALDH1A1 (0.56) MAPTALDH1A1L3MBTL1GAAMEN1
SCHEMBL11691221 0.68 KDM4E (0.56) MAPTKDM4EPOLBALDH1A1CYP1A2
SCHEMBL18191095 0.68 ALDH1A1 (0.43) MAPTKDM4EPOLBALDH1A1CYP1A2

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-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed