SCHEMBL10375646

SCHEMBL10375646

Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2)nc(C)c1NC(=O)NCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.42
KMT2A Q03164 7/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ACHE P22303 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
SCHEMBL10375645 0.90 POLB (0.45) HTTPOLBATMKMT2AMAPT
SCHEMBL8946591 0.89 ATM (0.49) HTTPOLBATMKMT2AMAPT
Hydrochloric Acid SCHEMBL10375342 0.88 ATM (0.48) HTTPOLBATMKMT2AMAPT
SCHEMBL10376598 0.86 MAPT (0.43) HTTPOLBKMT2AMAPTALDH1A1
SCHEMBL8946649 0.79 ATM (0.49) HTTPOLBATMKMT2AMAPT
SCHEMBL10376596 0.76 MAPT (0.41) HTTPOLBKMT2AMAPTALDH1A1
SCHEMBL10375373 0.76 ALDH1A1 (0.51) POLBATMKMT2AMAPTALDH1A1
SCHEMBL10375340 0.75 TMEM97 (0.48) HTTPOLBKMT2AMAPTALDH1A1
SCHEMBL10375294 0.75 KMT2A (0.48) HTTKMT2AMAPTALDH1A1GAA
SCHEMBL10376290 0.75 ALDH1A1 (0.48) POLBATMKMT2AMAPTALDH1A1

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