SCHEMBL3822233

SCHEMBL3822233

[CH2]Cc1cncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.47
CYP11B1 P15538 5/20 0.47
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
ADRA2C P18825 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
PRKCZ Q05513 1/20 0.42
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ACP3 P15309 1/20 0.36
FEN1 P39748 1/20 0.35

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
SCHEMBL15453335 0.84 CYP11B2 (0.45) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL2258454 0.81 CYP11B1 (0.49) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL873335 0.79 CYP11B1 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL4045763 0.79 CYP11B1 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL9646280 0.79 CYP11B2 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL25076210 0.79 CYP11B2 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL9572666 0.79 CYP11B2 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL13058960 0.79 CYP11B2 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL6845329 0.79 CYP11B1 (0.47) CYP11B2CYP11B1ADRA2AADRA2BADRA2C
SCHEMBL5353000 0.79 CYP11B1 (0.44) CYP11B2CYP11B1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP disclosed
WO-2007115805-A2 AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-18 WO disclosed
WO-2007113005-A2 2-SUBSTITUTED 3-AMINOSULFONYL-THIOPHENE DERIVATIVES AS AURORA KINASE INHIBITORS EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) 2007-10-11 WO disclosed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO disclosed