SCHEMBL9846145

SCHEMBL9846145

Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)c2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
LOXL2 Q9Y4K0 1/20 0.43
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ELANE P08246 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APLNR P35414 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL9846412 0.84 RAB9A (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846228 0.79 MAPT (0.52) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL5573693 0.75 MAPT (0.54) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846394 0.74 MAPT (0.49) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846193 0.73 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846349 0.73 MAPT (0.50) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9268706 0.71 RAB9A (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846167 0.71 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846184 0.71 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL155002 0.71 MAPT (1.00) RAB9AMAPTNPC1LOXL2TP53

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