SCHEMBL9846412

SCHEMBL9846412

Cc1c2c([nH]c(=O)c1CCc1nc3ccccc3o1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
LOXL2 Q9Y4K0 1/20 0.41
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
GFER P55789 1/20 0.40
OPRK1 P41145 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL9846145 0.84 RAB9A (0.50) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846228 0.77 MAPT (0.52) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL155002 0.69 MAPT (1.00) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL5573693 0.69 MAPT (0.54) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846394 0.68 MAPT (0.49) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846193 0.67 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846349 0.67 MAPT (0.50) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL16067087 0.66 MAPT (0.65) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL14969112 0.66 ALOX15 (0.44) MAPTSMN1; SMN2HTTLMNAPKM
SCHEMBL7451814 0.65 PDE10A (0.66) RAB9AMAPTNPC1LOXL2SMN1; 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