SCHEMBL1573467

SCHEMBL1573467

Cc1cccc(C(C)c2nccn2C(=O)O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
ADRA1D P25100 2/20 0.38
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 1/20 0.37
HTR7 P34969 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL704577 1.00 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL696280 0.84 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL699093 0.84 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697019 0.81 TSHR (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697994 0.81 TSHR (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697760 0.81 L3MBTL1 (0.38) KMT2ANPC1RAB9AMEN1FFAR1
SCHEMBL697702 0.80 MAPK1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL698950 0.80 POLB (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL698760 0.80 FFAR1 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1573430 0.80 ADRA2A (0.35) ADRA2AADRA2BADRA2CADRA1AADRA1B

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