SCHEMBL27797027

SCHEMBL27797027

CCCCC(ON=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM8 O00222 2/20 0.40
▸ GRM4 Q14833 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ACP3 P15309 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL27775759 0.84 MAPT (0.42) LMNACYP3A4ALDH1A1MAPTL3MBTL1
SCHEMBL27796795 0.79 TSHR (0.40) CYP3A4TSHR
SCHEMBL19339253 0.78 L3MBTL1 (0.60) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL28490652 0.77 L3MBTL1 (0.46) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL8208668 0.77 L3MBTL1 (0.46) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL16198943 0.74 GRM8 (0.42) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL29800007 0.74 NPSR1 (0.46) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL343037 0.74 NPSR1 (0.46) NPSR1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL11215770 0.74 TSHR (0.50) LMNACYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL10645248 0.73 SMN1; SMN2 (0.44) NPSR1LMNACYP3A4CYP2D6CYP2C9

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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