SCHEMBL6017501

SCHEMBL6017501

N#CCC1C=CN=C(N2CCC(n3nnc4ccccc43)CC2)N1c1nc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SCD O00767 1/20 0.37
USP2 O75604 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
DPP4 P27487 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
BAP1 Q92560 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33

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
SCHEMBL4195517 0.84 DPP4 (0.40) NPC1RAB9AMEN1KMT2ADPP4
SCHEMBL4199975 0.84 NPC1 (0.40) ALDH1A1USP2NPC1RAB9AMEN1
SCHEMBL4197211 0.81 SCN4A (0.38) ALDH1A1USP2NPC1RAB9AMEN1
SCHEMBL4197998 0.81 NPC1 (0.53) ALDH1A1USP2NPC1RAB9AMEN1
SCHEMBL4198007 0.81 RAB9A (0.42) ALDH1A1USP2NPC1RAB9AMEN1
SCHEMBL4197930 0.81 RAB9A (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4199997 0.80 HTR1A (0.42) USP2NPC1RAB9AMEN1KMT2A
SCHEMBL4194844 0.80 RAB9A (0.39) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4195581 0.78 USP2 (0.52) ALDH1A1USP2NPC1RAB9AMEN1
SCHEMBL6828236 0.77 MEN1 (0.39) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP disclosed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed