SCHEMBL6002650

SCHEMBL6002650

C[C](c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
LMNA P02545 4/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6493746 0.89 CES2 (0.60) CES2CES1LMNATSHRMAPK1
SCHEMBL22572715 0.82 HTT (0.49) CES2CES1TSHRPOLBHTT
SCHEMBL315559 0.81 CES2 (0.52) CES2CES1LMNATSHRMAPK1
SCHEMBL7555313 0.79 TSHR (0.55) CES2CES1LMNATSHRMAPK1
SCHEMBL6448217 0.79 TSHR (0.55) CES2CES1LMNATSHRMAPK1
SCHEMBL20659173 0.78 ALDH1A1 (0.41) CES2CES1LMNATSHRMAPK1
SCHEMBL17187946 0.77 MAPT (0.69) CES2CES1LMNATSHRMAPK1
SCHEMBL7959261 0.77 CES2 (0.48) CES2CES1LMNATSHRMAPK1
SCHEMBL190531 0.77 CES2 (0.50) CES2CES1LMNATSHRMAPK1
SCHEMBL75640 0.77 MAPT (0.69) CES2CES1LMNATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461834-A Condensed heterocyclic compouds and composition containing it SUMITOMO CHEMICAL CO 2019-11-15 CN disclosed
CN-110352192-A Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2019-10-18 CN disclosed
CN-110023303-A Tetrazolinone compounds and their use as pest control agents 住友化学株式会社 2019-07-16 CN disclosed
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
US-3984379-A POLYMERIZATION CATALYSTS TEIJIN LIMITED (JA) 1976-10-05 US disclosed