SCHEMBL6015608

SCHEMBL6015608

COc1cc(C)ccc1-c1ccc(SCc2ccc(C)cn2)nn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 5/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
DAO P14920 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
SCHEMBL6015580 0.87 MAPT (0.66) MAPTL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL6015595 0.77 DAO (0.38) MAPTL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL26316119 0.74 L3MBTL1 (0.41) MAPTL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL5513538 0.74 NPC1 (0.58) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL5510570 0.72 MAPT (0.62) MAPTL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL26316100 0.72 ACHE (0.47) MAPTL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL6015614 0.70 PDE2A (0.39) ALDH1A1HTTRAB9ANPC1TP53
SCHEMBL22296047 0.67 KDM4E (0.44) MAPTL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14777569 0.67 SYK (0.40) MAPTALDH1A1HTTRAB9AKMT2A
SCHEMBL22434766 0.67 ACHE (0.44) MAPTL3MBTL1ALDH1A1RAB9AKMT2A

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
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed