SCHEMBL5265055

SCHEMBL5265055

CC(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
GAA P10253 1/20 0.64
NPC1 O15118 2/20 0.59
CDK2 P24941 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
TRPA1 O75762 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CTSV O60911 3/20 0.57
CTSL P07711 3/20 0.57

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
SCHEMBL4206737 0.88 MAPT (0.65) MAPTKMT2AMEN1GAANPC1
SCHEMBL4208131 0.82 MAPT (0.60) MAPTKMT2AMEN1GAANPC1
SCHEMBL17434401 0.82 MAPT (0.70) MAPTKMT2AMEN1GAANPC1
SCHEMBL9834480 0.81 CRHBP (0.70) MAPTKMT2AMEN1GAANPC1
SCHEMBL4214475 0.81 CRHBP (0.70) MAPTKMT2AMEN1GAANPC1
SCHEMBL4205393 0.81 CRHBP (0.70) MAPTKMT2AMEN1GAANPC1
SCHEMBL4212246 0.78 MAPT (1.00) MAPTKMT2AMEN1GAANPC1
SCHEMBL3462623 0.78 MAPT (0.58) MAPTKMT2AMEN1GAANPC1
SCHEMBL9837491 0.76 KMT2A (0.58) MAPTKMT2AMEN1GAANPC1
SCHEMBL3029764 0.76 MAPT (1.00) MAPTKMT2AMEN1GAANPC1

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
EP-1839675-A1 NOVEL METHOD OF PROTECTING ISCHEMIC CARDIOPATHY Japan Science and Technology Agency (JP) 2007-10-03 EP disclosed