SCHEMBL10375645

SCHEMBL10375645

CSc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2)nc(C)c1NC(=O)NCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ACP1 P24666 1/20 0.35
ACHE P22303 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
KDR P35968 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL10375646 0.90 HTT (0.48) POLBHTTATMALDH1A1MAPT
SCHEMBL10376596 0.87 MAPT (0.41) POLBHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL8946591 0.86 ATM (0.49) POLBHTTATMALDH1A1MAPT
Hydrochloric Acid SCHEMBL10375342 0.85 ATM (0.48) POLBHTTATMALDH1A1MAPT
SCHEMBL10375293 0.77 KMT2A (0.43) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL10375295 0.77 KMT2A (0.43) POLBALDH1A1MAPTGAAKDM4E
SCHEMBL10376598 0.76 MAPT (0.43) POLBHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL8946649 0.76 ATM (0.49) POLBHTTATMALDH1A1MAPT
SCHEMBL10375262 0.76 KMT2A (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10375515 0.74 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2GAAKDM4E

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