SCHEMBL6237322

SCHEMBL6237322

Clc1ccc(Cc2cn[c]s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ABL1 P00519 1/20 0.37
FFAR2 O15552 1/20 0.36
AOC3 Q16853 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HPGD P15428 1/20 0.35
IDO1 P14902 1/20 0.34
DAO P14920 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6240509 0.81 HTT (0.41) MEN1KMT2AALDH1A1ABL1IDO1
SCHEMBL2093652 0.81 EPHX2 (0.49) L3MBTL1MEN1KMT2AALDH1A1IDO1
SCHEMBL1090652 0.81 LMNA (0.47) L3MBTL1MEN1KMT2AALDH1A1ABL1
SCHEMBL27684285 0.77 POLB (0.53) L3MBTL1MEN1KMT2AALDH1A1ABL1
SCHEMBL1411957 0.71 CFTR (0.44) L3MBTL1MEN1KMT2AALDH1A1ABL1
SCHEMBL921646 0.69 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AALDH1A1CRHBP
SCHEMBL1091848 0.69 KMT2A (0.48) MEN1KMT2AALDH1A1IDO1NPC1
SCHEMBL1091660 0.68 IDO1 (0.40) KMT2AALDH1A1AOC3HSP90AB1IDO1
SCHEMBL6241817 0.67 RAB9A (0.38) L3MBTL1MEN1KMT2AALDH1A1CRHBP
SCHEMBL1106684 0.67 IDO1 (0.58) MEN1KMT2AALDH1A1HSP90AB1IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
WO-2015124606-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-08-27 WO disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed