SCHEMBL9846228

SCHEMBL9846228

CCc1c(C)[nH]c(=O)c(CCc2nc3ccccc3o2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.45
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
ELANE P08246 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
APLNR P35414 1/20 0.39
PDE10A Q9Y233 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RPA1 P27694 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5573693 0.82 MAPT (0.54) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846171 0.81 MAPT (0.40) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846145 0.79 RAB9A (0.50) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846412 0.77 RAB9A (0.48) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846349 0.74 MAPT (0.50) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846394 0.74 MAPT (0.49) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846193 0.73 MAPT (0.48) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9268706 0.73 RAB9A (0.48) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846167 0.73 MAPT (0.48) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846184 0.73 MAPT (0.48) MAPTRAB9ANPC1LOXL2TP53

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