SCHEMBL11236645

SCHEMBL11236645

CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
HCAR3 P49019 4/20 0.55
MAPT P10636 7/20 0.54
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 4/20 0.49
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL11236642 1.00 KMT2A (0.58) KMT2ACRHBPCRHR2HCAR3MAPT
SCHEMBL11197355 0.87 MAPT (0.69) CRHBPCRHR2HCAR3MAPTALDH1A1
SCHEMBL31429843 0.87 MAPT (0.69) CRHBPCRHR2HCAR3MAPTALDH1A1
SCHEMBL5137639 0.87 MAPT (0.69) CRHBPCRHR2HCAR3MAPTALDH1A1
SCHEMBL5137640 0.87 MAPT (0.69) CRHBPCRHR2HCAR3MAPTALDH1A1
SCHEMBL26934202 0.85 KMT2A (0.47) KMT2ACRHBPCRHR2HCAR3MAPT
SCHEMBL26934192 0.85 KMT2A (0.47) KMT2ACRHBPCRHR2HCAR3MAPT
SCHEMBL27970874 0.84 CRHBP (0.57) CRHBPCRHR2HCAR3MAPTALDH1A1
SCHEMBL12730125 0.83 RECQL (0.53) KMT2AHCAR3MAPTALDH1A1TDP1
SCHEMBL4301791 0.83 CRHBP (0.56) KMT2ACRHBPCRHR2HCAR3MAPT

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-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US disclosed