SCHEMBL6002285

SCHEMBL6002285

CCc1scc2ccc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
DRD4 P21917 1/20 0.32
PPM1A P35813 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SREBF2 Q12772 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.32
DHODH Q02127 1/20 0.31
MPO P05164 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HK1 P19367 1/20 0.31

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
SCHEMBL6003055 0.85 CYP1A2 (0.33) MAPTCYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL2089506 0.81 CYP1A2 (0.33) CYP1A2CYP2A6MTNR1AMTNR1BCA2
SCHEMBL2091623 0.75 CYP1A2 (0.37) MAPTCYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL2091637 0.74 MPO (0.32) MPO
SCHEMBL2091616 0.72 CYP1A2 (0.38) MAPTCYP1A2CYP2A6MTNR1AMTNR1B
SCHEMBL2090417 0.72 CYP2A6 (0.38) MAPTCYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL16417587 0.67 MAOA (0.38) CYP2A6KDM4ECA2CYP19A1
SCHEMBL6003503 0.67 MTNR1A (0.60) MAPTCYP2A6MTNR1AMTNR1BCA2
SCHEMBL2097025 0.67 CYP1A2 (0.33) MAPTCYP1A2CYP2A6ALDH1A1
SCHEMBL12810668 0.66 CRHR1 (0.40) MAPTMTNR1AMTNR1B

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