SCHEMBL27540201

SCHEMBL27540201

O=C(C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2)C(COc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MAPT P10636 7/20 0.49
MGLL Q99685 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6159335 0.75 MAPT (0.65) MAPTSMN1; SMN2MEN1NPC1LMNA
SCHEMBL27597238 0.71 TRPV1 (0.48) CRHBPCRHR2MAPTSMN1; SMN2MEN1
SCHEMBL27517851 0.70 PTGS1 (0.54) MAPTSMN1; SMN2GAAPOLB
SCHEMBL27700481 0.70 PTGS1 (0.54) MAPTSMN1; SMN2GAAPOLB
SCHEMBL30665998 0.69 MAPT (0.60) CRHBPCRHR2MAPTSMN1; SMN2MEN1
SCHEMBL1169369 0.69 MAPT (0.60) CRHBPCRHR2MAPTSMN1; SMN2MEN1
SCHEMBL14750964 0.68 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL7270186 0.67 ALDH1A1 (0.68) MAPTSMN1; SMN2MEN1LMNAMAPK1
SCHEMBL7261751 0.67 PTGS1 (0.65) SMN1; SMN2GAAPOLB
SCHEMBL31474894 0.66 MAPT (0.56) CRHBPCRHR2MAPTSMN1; SMN2MEN1

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
CN-1267423-C Substituted 2-phenylaminoimidazolinylphenyl ketone derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-08-02 CN disclosed