SCHEMBL31220170

SCHEMBL31220170

CN(C(=O)OC(C)(C)C)c1c([N+](=O)[O-])ccc(Br)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
MAPK1 P28482 1/20 0.33
NR1D1 P20393 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 7/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
CYP2D6 P10635 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31

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
SCHEMBL25171636 1.00 LMNA (0.33) LMNAMAPK1NR1D1NR1H3ALDH1A1
SCHEMBL30893303 0.82 NPSR1 (0.38) LMNANR1D1ALDH1A1MAPTHTT
SCHEMBL23540991 0.82 NPSR1 (0.38) LMNANR1D1ALDH1A1MAPTHTT
SCHEMBL25168509 0.81 LMNA (0.35) LMNAMAPK1NR1D1NR1H3ALDH1A1
SCHEMBL30893241 0.80 MAPT (0.36) LMNAMAPK1NR1D1ALDH1A1MAPT
SCHEMBL30936620 0.80 ALDH1A1 (0.44) LMNAALDH1A1MAPTHTTCYP2D6
SCHEMBL25174512 0.78 KMT2A (0.34) LMNAMAPK1ALDH1A1MAPTHTT
SCHEMBL31720604 0.75 TDP1 (0.46) LMNAMAPK1ALDH1A1MAPTHTT
SCHEMBL20045660 0.74 ALDH1A1 (0.34) LMNAMAPK1NR1D1ALDH1A1MAPT
SCHEMBL30936632 0.74 NPSR1 (0.38) LMNANR1D1ALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed
EP-4426690-A2 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-09-11 EP disclosed