SCHEMBL1573555

SCHEMBL1573555

Cc1cccc([C@@H](C)c2nccn2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
TSHR P16473 3/20 0.42
ADRA1D P25100 2/20 0.42
CYP2D6 P10635 2/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 1/20 0.41
HTR7 P34969 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 2/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL698665 1.00 KDM4E (0.44) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL697764 1.00 KDM4E (0.44) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL1573465 0.83 ADRA2C (0.41) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL1574207 0.83 ADRA2C (0.41) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL698523 0.83 ADRA2C (0.41) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL1573551 0.83 ADRA2C (0.41) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL698793 0.81 KMT2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL698574 0.81 KMT2A (0.50) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL704577 0.78 ADRA2A (0.38) KDM4EADRA2AADRA2BADRA2CADRA1A
SCHEMBL1573467 0.78 ADRA2A (0.38) KDM4EADRA2AADRA2BADRA2CADRA1A

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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed