SCHEMBL27771256

SCHEMBL27771256

CC(C)Oc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MGAM O43451 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SI P14410 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MGAM2 Q2M2H8 1/20 0.50
▸ HPGD P15428 1/20 0.46
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KCNMA1 Q12791 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL27792464 0.86 KCNMA1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27792398 0.86 KMT2A (0.55) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27792371 0.79 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27792367 0.72 MEN1 (0.60) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL24142977 0.72 MEN1 (0.61) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27771252 0.71 KCNMA1 (0.65) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL4286409 0.71 MAPT (0.57) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27792404 0.71 MEN1 (0.70) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL12021436 0.71 GCK (0.55) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22348661 0.70 NPC1 (0.72) MAPTALDH1A1MEN1KMT2ANPC1

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-101648919-A 3-substituted salicylamide compound, preparation method, medicinal composition and application thereof INST MATERIA MEDICA CAMS 2010-02-17 — — CN disclosed
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