SCHEMBL10716822

SCHEMBL10716822

CCOC(=O)c1cn(C2CC2)c2c(Br)cc(F)cc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
LMNA P02545 1/20 0.43
KCNH2 Q12809 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
TOP2A P11388 5/20 0.42
TOP2B Q02880 5/20 0.42
STAT3 P40763 2/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL29802253 0.89 ADRB2 (0.57) ADRB2KCNH2KDM4ESMN1; SMN2CYP1A2
SCHEMBL7599453 0.85 ADRB2 (0.65) ADRB2LMNAKCNH2KDM4ETOP2A
SCHEMBL4476600 0.84 ADRB2 (0.55) ADRB2LMNAKCNH2TOP2ATOP2B
SCHEMBL9188190 0.84 ADRB2 (0.61) ADRB2LMNAKCNH2KDM4ETOP2A
SCHEMBL7011806 0.84 ADRB2 (0.59) ADRB2LMNAKCNH2KDM4ETOP2A
SCHEMBL2844967 0.83 ADRB2 (0.68) ADRB2KCNH2KDM4ETOP2ATOP2B
SCHEMBL29492858 0.83 ADRB2 (0.68) ADRB2KCNH2KDM4ETOP2ATOP2B
SCHEMBL7507103 0.83 ADRB2 (0.55) ADRB2LMNAKCNH2TOP2ATOP2B
SCHEMBL7005951 0.82 ADRB2 (0.57) ADRB2LMNAKCNH2KDM4ETOP2A
SCHEMBL7584091 0.82 ADRB2 (0.57) ADRB2LMNAKCNH2KDM4ETOP2A

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
JP-62059263-A None JP disclosed
JP-S6259263-A QUINOLONECARBOXYLIC ACID DERIVATIVE KYORIN PHARMACEUT CO LTD 1987-03-14 JP disclosed