SCHEMBL27721875

SCHEMBL27721875

CC1(C)Oc2ccc([N+](=O)[O-])cc2NC1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ GAA P10253 1/20 0.36
▸ ABCC9 O60706 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CAPN9 O14815 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NR3C1 P04150 1/20 0.35

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
SCHEMBL27735476 0.89 ALDH1A1 (0.39) MAPTALPLALDH1A1GAACYP3A4
SCHEMBL27844127 0.88 MAPT (0.39) MAPTNPC1RAB9AALPLALDH1A1
SCHEMBL27701156 0.79 MAPT (0.31) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL27756114 0.78 CYP1A2 (0.36) MAPTNPC1ALDH1A1GAACYP3A4
SCHEMBL27527386 0.77 AKR1B1 (0.39) MAPTNPC1RAB9AALPLALDH1A1
SCHEMBL28101785 0.76 AKR1B1 (0.41) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL27659878 0.75 PARP1 (0.37) MAPTHSD17B10MEN1KMT2APOLB
SCHEMBL27756120 0.75 CAPN9 (0.40) MAPTNPC1RAB9AALDH1A1GAA
SCHEMBL27804773 0.74 ALDH1A1 (0.41) MAPTPTPN1ALDH1A1GAACYP3A4
SCHEMBL9845500 0.74 ALDH1A1 (0.44) MAPTALPLALDH1A1MEN1KMT2A

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-101171015-A Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS INC (US) 2008-04-30 — — CN disclosed
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