SCHEMBL10375337

SCHEMBL10375337

Cc1nc(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE4D Q08499 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HRH4 Q9H3N8 2/20 0.43
CCR5 P51681 1/20 0.43
FAAH O00519 1/20 0.41

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
SCHEMBL10375206 0.90 PDE4D (0.56) USP2POLBALDH1A1MAPTL3MBTL1
Fumaric Acid SCHEMBL10375333 0.86 PDE4D (0.52) USP2ALDH1A1MAPTL3MBTL1PDE4D
Fumaric Acid SCHEMBL10375332 0.86 PDE4D (0.52) USP2ALDH1A1MAPTL3MBTL1PDE4D
SCHEMBL10755741 0.85 ERN1 (0.45) USP2POLBALDH1A1MAPTL3MBTL1
SCHEMBL10377149 0.85 USP2 (0.49) USP2POLBALDH1A1MAPTL3MBTL1
SCHEMBL10377218 0.85 PDE4D (0.53) POLBALDH1A1MAPTL3MBTL1PDE4D
SCHEMBL10375266 0.84 PDE4D (0.56) ALDH1A1MAPTL3MBTL1PDE4DLMNA
SCHEMBL10376659 0.82 KMT2A (0.51) POLBALDH1A1MAPTKMT2ALMNA
SCHEMBL10377529 0.82 MAPT (0.47) USP2POLBALDH1A1MAPTHPGD
SCHEMBL10375299 0.81 KMT2A (0.54) POLBALDH1A1MAPTL3MBTL1KMT2A

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