SCHEMBL9846171

SCHEMBL9846171

CCc1c(C)[nH]c(=O)c(NCc2nc3ccccc3o2)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
ELANE P08246 2/20 0.36
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL9846228 0.81 MAPT (0.52) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9281450 0.79 RAB9A (0.41) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9432441 0.73 RAB9A (0.43) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9431965 0.72 RAB9A (0.40) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL5573693 0.72 MAPT (0.54) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9681875 0.71 MAPT (0.37) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9432422 0.70 ELANE (0.48) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9682726 0.70 RAB9A (0.39) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9433191 0.68 RAB9A (0.46) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL30619952 0.68 MAPT (0.53) MAPTRAB9ANPC1LOXL2SMN1; SMN2

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed