SCHEMBL2553633

SCHEMBL2553633

NC(=O)Cc1cc(CCOc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.43
CYP11B2 P19099 5/20 0.43
CTSB P07858 3/20 0.38
CYP19A1 P11511 3/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PRSS1 P07477 4/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
JMJD7 P0C870 1/20 0.36
HCK P08631 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL2472026 0.89 CTSV (0.41) CTSBCYP19A1MAPTLMNANPC1
SCHEMBL2558223 0.85 CNR1 (0.40) CNR1CNR2GPR84HCKMAPK12
SCHEMBL12634044 0.84 CYP11B1 (0.47) CYP11B1CYP11B2CTSBCYP19A1MAPT
SCHEMBL535781 0.83 MAPT (0.44) CTSBMAPTLMNANPC1RAB9A
SCHEMBL2572968 0.80 HCK (0.52) CYP11B1CYP11B2CYP19A1MAPTLMNA
SCHEMBL1978086 0.80 MAPK14 (0.48) CYP11B1CYP11B2CYP19A1LMNANPC1
SCHEMBL1978082 0.80 MAPK14 (0.48) CYP11B1CYP11B2CYP19A1LMNANPC1
SCHEMBL2473217 0.77 MAPT (0.43) CTSBMAPTLMNANPC1RAB9A
SCHEMBL2405629 0.76 MAPK14 (0.48) CYP11B1CYP11B2LMNANPC1RAB9A
SCHEMBL2548864 0.75 HCK (0.43) CYP11B1CYP11B2MAPTLMNANPC1

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
EP-2556067-A2 PYRAZOLYL UREAS AS P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011124923-A2 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed