SCHEMBL27775759

SCHEMBL27775759

CCCCC(ON=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ MGLL Q99685 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ ASAH2 Q9NR71 1/20 0.39
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL27797027 0.84 NPSR1 (0.43) MAPTALDH1A1L3MBTL1CYP3A4TSHR
SCHEMBL9165350 0.79 MGLL (0.46) MAPTMGLLALDH1A1ASAH2BCL9
SCHEMBL11308398 0.79 MGLL (0.46) MAPTMGLLALDH1A1ASAH2BCL9
SCHEMBL8727031 0.79 MGLL (0.46) MAPTMGLLALDH1A1ASAH2BCL9
SCHEMBL27797003 0.79 LMNA (0.37) MAPTALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL10608761 0.75 MAPT (0.49) MAPTMGLLALDH1A1ASAH2HDAC3
SCHEMBL9392854 0.75 ALDH1A1 (0.62) MAPTMGLLALDH1A1ASAH2HDAC3
SCHEMBL6680576 0.75 MAPT (0.49) MAPTMGLLALDH1A1ASAH2HDAC3
SCHEMBL21434976 0.75 MGLL (0.48) MAPTMGLLALDH1A1ASAH2BCL9
SCHEMBL8692744 0.75 CA2 (0.46) MAPTMGLLALDH1A1ASAH2BCL9

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-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 — — CN disclosed
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