SCHEMBL28047285

SCHEMBL28047285

COc1ccccc1-c1cncc(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
CTSA P10619 2/20 0.44
PIP4K2A P48426 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
KCNH2 Q12809 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL15544242 0.84 KCNH2 (0.54) KDM1AHDAC1HDAC6KCNH2
SCHEMBL31418086 0.81 KDM1A (0.48) ERN1CYP11B1CYP11B2KDM1AHDAC1
SCHEMBL15937905 0.80 ERN1 (0.54) ERN1PTPRCPTPN1ALDH1A1TSHR
SCHEMBL3748536 0.78 CYP11B2 (0.43) ERN1CYP11B1CYP11B2KDM1A
SCHEMBL9910946 0.78 PDGFRB (0.53) PDGFRBPDGFRACYP11B1CYP11B2PTPRC
SCHEMBL2009055 0.77 DRD1 (0.63) ERN1PTPRCPTPN1ALDH1A1TSHR
SCHEMBL7391983 0.76 PDGFRB (0.51) PDGFRBPDGFRACYP11B1CYP11B2PTPRC
SCHEMBL1119500 0.76 PDGFRB (0.51) PDGFRBPDGFRACYP11B1CYP11B2PTPRC
SCHEMBL3363703 0.76 PDGFRB (0.51) PDGFRBPDGFRACYP11B1CYP11B2PTPRC
SCHEMBL29066311 0.76 CYP11B1 (0.48) ERN1CYP11B1CYP11B2KDM1AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143216-A Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD 2015-12-09 CN disclosed