SCHEMBL6003237

SCHEMBL6003237

[CH2]C(CCCC)c1scnc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP17A1 P05093 1/20 0.33
NPC1 O15118 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
CAPN1 P07384 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32

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
SCHEMBL11996622 0.74 ALDH1A1 (0.35) ALDH1A1MAPTTSHR
SCHEMBL13034536 0.73 KDM4E (0.40) MAPT
SCHEMBL11994166 0.71 GPR84 (0.43) GPR84SOAT1ALDH1A1MAPTNPSR1
SCHEMBL8403092 0.70 GPR84 (0.49) GPR84SOAT1ALDH1A1MAPTNPC1
SCHEMBL5167355 0.68 CYP17A1 (0.49) CYP17A1
SCHEMBL536902 0.67 POLB (0.45) ALDH1A1MAPT
SCHEMBL28814006 0.67 NPC1 (0.35) SOAT1ALDH1A1MAPTNPC1STAT1
SCHEMBL23072120 0.66 ALDH1A1 (0.50) ALDH1A1MAPTTSHRATP4AATP4B
SCHEMBL6002435 0.65 ALOX5 (0.45) ALDH1A1NPC1RAB9ATSHR
SCHEMBL6003294 0.65 ATP4A (0.43) ALDH1A1NPC1RAB9AATP4AATP4B

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed