SCHEMBL27290714

SCHEMBL27290714

Cc1c(O)cccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ PTGES O14684 1/20 0.48
▸ DHFR P00374 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PDE7A Q13946 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL27619659 0.82 MAPT (0.51) MAPTSMN1; SMN2LMNAPTGESDHFR
SCHEMBL13265727 0.79 GUSB (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2418894 0.78 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LMNADHFRMEN1
SCHEMBL2853747 0.77 SIRT1 (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13240455 0.76 LMNA (0.62) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2807223 0.74 TRPA1 (0.54) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2963062 0.74 LMNA (0.64) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13240454 0.73 LMNA (0.62) MAPTSMN1; SMN2LMNADHFRMEN1
SCHEMBL27912267 0.73 SIRT1 (0.66) MAPTSMN1; SMN2LMNADHFRMEN1
SCHEMBL2954723 0.72 SMN1; SMN2 (0.58) MAPTSMN1; SMN2LMNAMEN1KMT2A

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-1038413-C Therapeutic amides ZENECA LTD (GB) 1998-05-20 — — CN disclosed
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