SCHEMBL28260448

SCHEMBL28260448

CC(C)(C)OC(=O)Nc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1.O=[N+]([O-])c1cc(Br)cnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
PRMT1 Q99873 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
RORC P51449 1/20 0.42
CDK1 P06493 1/20 0.40
MAPKAPK2 P49137 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
PTK2B Q14289 1/20 0.40
JAK2 O60674 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 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
SCHEMBL20721699 0.94 PRMT1 (0.53) MAPTMAPK1POLBPRMT1TDP1
SCHEMBL30419454 0.94 PRMT1 (0.53) MAPTMAPK1POLBPRMT1TDP1
SCHEMBL2173703 0.83 IGF1R (0.47) MAPTMAPK1POLBPRMT1TDP1
SCHEMBL857380 0.82 AAK1 (0.42) MAPTMAPK1POLBPRMT1TDP1
SCHEMBL28260460 0.79 MAPT (0.53) MAPTMAPK1POLBPRMT1TDP1
SCHEMBL20603986 0.78 TDP1 (0.57) MAPTMAPK1POLBTDP1MEN1
SCHEMBL16692462 0.78 PIN1 (0.60) MAPTMAPK1POLBPRMT1CDK1
SCHEMBL20627482 0.77 PRMT1 (0.47) PRMT1RORCCDK1MAPKAPK2EGFR
SCHEMBL30418822 0.77 PRMT1 (0.47) PRMT1RORCCDK1MAPKAPK2EGFR
SCHEMBL31454988 0.77 MAPK1 (0.43) MAPTMAPK1POLBTDP1L3MBTL1

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-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed
CN-109071523-A Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2018-12-21 CN disclosed