SCHEMBL27488497

SCHEMBL27488497

COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2O)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.67
CRHR2 Q13324 2/20 0.67
G6PD P11413 1/20 0.67
HTT P42858 2/20 0.65
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
P2RX1 P51575 1/20 0.55
DHODH Q02127 1/20 0.54
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
GAA P10253 1/20 0.53
GRM4 Q14833 2/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SETD7 Q8WTS6 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KLK1 P06870 1/20 0.50

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
SCHEMBL7165179 0.86 KMT2A (0.62) CRHBPCRHR2G6PDHTTKMT2A
SCHEMBL7160224 0.85 CRHBP (0.78) CRHBPCRHR2G6PDHTTKMT2A
SCHEMBL27504229 0.81 RAB9A (0.67) CRHBPCRHR2G6PDKMT2AMEN1
SCHEMBL7159826 0.81 MEN1 (0.60) CRHBPCRHR2G6PDHTTKMT2A
SCHEMBL2061207 0.80 CRHBP (0.67) CRHBPCRHR2G6PDKMT2AMEN1
SCHEMBL7160891 0.80 CRHBP (1.00) CRHBPCRHR2G6PDKMT2AMEN1
SCHEMBL7161734 0.80 KMT2A (0.63) CRHBPCRHR2G6PDKMT2AMEN1
SCHEMBL2060528 0.80 CRHBP (0.62) CRHBPCRHR2G6PDHTTKMT2A
SCHEMBL7164279 0.79 PNLIP (0.67) CRHBPCRHR2G6PDHTTKMT2A
SCHEMBL7165240 0.79 CRHBP (0.64) CRHBPCRHR2G6PDHTTKMT2A

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-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 CN claimed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 CN disclosed