SCHEMBL6428369

SCHEMBL6428369

CC(C)N(B(Cl)C1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
GPR3 P46089 2/20 0.39
SLC22A2 O15244 1/20 0.36
SLC22A3 O75751 1/20 0.36
HTR2A P28223 1/20 0.31
IDO1 P14902 1/20 0.30
DNMT1 P26358 1/20 0.30
DNMT3L Q9UJW3 1/20 0.30
DNMT3A Q9Y6K1 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6428815 0.74 GPR3 (0.39) KMT2APOLBGPR3SLC22A2SLC22A3
SCHEMBL27462668 0.71 GPR3 (0.41) KMT2APOLBMEN1ATMGPR3
SCHEMBL6427776 0.68 GPR3 (0.32) GPR3
SCHEMBL6430171 0.66 GPR3 (0.52) KMT2APOLBMEN1ATMGPR3
SCHEMBL1478687 0.65 GPR3 (0.44) KMT2APOLBMEN1ATMGPR3
SCHEMBL26666870 0.63 CYP1A2 (0.44) KMT2APOLBMEN1ATMGPR3
SCHEMBL3094602 0.63 CYP1A2 (0.44) KMT2APOLBMEN1ATMGPR3
SCHEMBL8967315 0.63 ORAI1 (0.39)
SCHEMBL16632987 0.62 GPR3 (0.41) KMT2APOLBMEN1GPR3HTR2A
SCHEMBL3919889 0.62 GPR3 (0.46) KMT2APOLBMEN1ATMGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US disclosed
US-20030199650-A1 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED 2003-10-23 US disclosed
EP-1119575-B1 BRIDGED METAL COMPLEXES DOW CHEMICAL CO (US) 2003-09-03 EP disclosed
EP-1141034-B1 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEM INT LTD (GB) 2002-10-30 EP disclosed
US-6376406-B1 COORDINATION POLYMERIZATION CATALYSTS FOR ALPHA-OLEFINS THE DOW CHEMICAL COMPANY 2002-04-23 US disclosed
EP-1141034-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP Chemicals Limited (GB) 2001-10-10 EP disclosed
US-6284905-B1 GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2001-09-04 US disclosed
EP-1119575-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-08-01 EP disclosed
WO-2000020462-A2 BRIDGED METAL COMPLEXES FOR GAS PHASE POLYMERIZATIONS BP CHEMICALS LIMITED (GB) 2000-04-13 WO disclosed
WO-2000020426-A1 BRIDGED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-04-13 WO disclosed