SCHEMBL9735535

SCHEMBL9735535

COCC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(=O)[nH]n2)C1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
TLR3 O15455 1/20 0.33
ABCC9 O60706 1/20 0.32
AR P10275 1/20 0.32
CACNA1C Q13936 1/20 0.32
AKR1B1 P15121 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9736485 0.86 IDO1 (0.32) SMN1; SMN2
SCHEMBL9735910 0.83 ABCC9 (0.42) KMT2AMEN1LMNAABCC9
SCHEMBL9736573 0.83 MAPT (0.36) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL9736949 0.82 MAPT (0.32) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL9735568 0.80 MAPT (0.35) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL9737706 0.79 TLR3 (0.35) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL7965091 0.77 TLR3 (0.40) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL9739194 0.75 MAPT (0.35) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL8538165 0.75 MAPT (0.35) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL9737720 0.74 TLR3 (0.34) KMT2AMEN1ALDH1A1MAPTLMNA

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
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed