SCHEMBL9837463

SCHEMBL9837463

CC(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.56
GRIK1 P39086 1/20 0.53
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MAPT P10636 6/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KCNK2 O95069 1/20 0.44
KCNK10 P57789 1/20 0.44
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44

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
SCHEMBL9834480 0.85 CRHBP (0.70) CRHBPCRHR2MAPTKMT2AMEN1
SCHEMBL4205393 0.85 CRHBP (0.70) CRHBPCRHR2MAPTKMT2AMEN1
SCHEMBL4214475 0.85 CRHBP (0.70) CRHBPCRHR2MAPTKMT2AMEN1
SCHEMBL7325216 0.79 MPO (0.83) MPOGRIK1MAPTKMT2AMEN1
SCHEMBL9838079 0.78 MAPT (0.58) CRHBPCRHR2MAPTKMT2AMEN1
SCHEMBL17434401 0.76 MAPT (0.70) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL1463066 0.76 GRIK1 (0.84) MPOGRIK1MAPTKMT2AMEN1
SCHEMBL4211539 0.76 MAPT (0.72) MPOGRIK1MAPTKMT2AMEN1
SCHEMBL9837846 0.76 CTSV (0.56) CRHBPCRHR2MAPTKMT2AMEN1
SCHEMBL9835884 0.76 CTSV (0.67) CRHBPCRHR2MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed