SCHEMBL6003439

SCHEMBL6003439

Clc1cccc(-c2c[nH][c]n2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
CNR2 P34972 10/20 0.42
CNR1 P21554 2/20 0.40
NOTUM Q6P988 2/20 0.38
NUDT1 P36639 3/20 0.38
CYP2D6 P10635 1/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SCN4A P35499 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PDE3A Q14432 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CXCR2 P25025 1/20 0.35
GRM5 P41594 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
SCHEMBL1316478 0.85 IDO1 (0.47) IDO1CNR2NOTUM
SCHEMBL6003511 0.74
SCHEMBL6002844 0.71 CDK2 (0.38) IDO1CNR2MAPK1PDE3A
SCHEMBL4719196 0.71 KDM4E (0.41) MAPK1
SCHEMBL3631530 0.71 HSP90AA1 (0.44) IDO1MAPK1
SCHEMBL29104485 0.70 IDO1 (0.46) IDO1CNR2NOTUMCYP2D6MAPK1
SCHEMBL4045966 0.70 IDO1 (0.46) IDO1NOTUM
SCHEMBL5388053 0.70 IDO1 (0.46) IDO1MAPK1
SCHEMBL3627349 0.70 AXL (0.30)
SCHEMBL5791176 0.69 IDO1 (0.50) IDO1CNR2CNR1NOTUMNUDT1

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