SCHEMBL6002542

SCHEMBL6002542

COCC1(c2ccccc2)N=NN=N1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.32
CA4 P22748 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
OPRK1 P41145 2/20 0.30
OPRD1 P41143 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5285392 0.76 TSHR (0.37) LMNAPOLBOPRM1OPRL1OPRK1
SCHEMBL6002548 0.73 SLC6A4 (0.47)
SCHEMBL5275530 0.72 KDM4E (0.35) POLBOPRM1OPRL1MEN1KMT2A
SCHEMBL5287640 0.72 POLB (0.41) LMNAPOLBMEN1KMT2A
SCHEMBL3925565 0.71 GAA (0.41) LMNAPOLBDPP4OPRM1OPRL1
SCHEMBL2233425 0.71 MAOA (0.32) DPP4
SCHEMBL5275494 0.71 OPRM1 (0.32) POLBOPRM1OPRL1OPRK1
SCHEMBL5280180 0.71 ALDH1A1 (0.36) OPRM1OPRL1OPRK1OPRD1MEN1
SCHEMBL5282094 0.70 OPRL1 (0.42) OPRM1OPRL1OPRK1
SCHEMBL5279220 0.69 OPRM1 (0.44) OPRM1OPRL1OPRK1OPRD1

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