SCHEMBL1573430

SCHEMBL1573430

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.35
ADRA2B P18089 4/20 0.35
ADRA2C P18825 4/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
ADRA1D P25100 2/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 4/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL1573272 0.87 TP53 (0.33) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1573397 0.85 TP53 (0.32) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1573150 0.83 CNR1 (0.34) TP53LMNAKMT2ANPC1MAPT
SCHEMBL698416 0.81 CYP26A1 (0.34) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1573151 0.81 CYP26A1 (0.34) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697679 0.81 CYP26A1 (0.34) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697288 0.81 NPC1 (0.34) TP53TSHRLMNAKMT2ASMN1; SMN2
SCHEMBL1573467 0.80 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL704577 0.80 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697287 0.79 NPC1 (0.35) TSHRLMNAKMT2ASMN1; SMN2ALDH1A1

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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed