SCHEMBL1829702

SCHEMBL1829702

CC(C=O)Cc1ccc(O)c(Br)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
TSHR P16473 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
ELANE P08246 2/20 0.33
CTSG P08311 1/20 0.33
ALOX15 P16050 5/20 0.33
ALOX12 P18054 5/20 0.33
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
ESR1 P03372 2/20 0.30
CYP3A4 P08684 2/20 0.30
HPGD P15428 2/20 0.30
MAPK1 P28482 2/20 0.30
RECQL P46063 2/20 0.30
KMT2A Q03164 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 2/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL2951870 0.80 GABRA1 (0.55) TP53GABRA1GABRB2ELANECTSG
SCHEMBL1829639 0.80 TP53 (0.37) TP53TSHRGABRA1GABRB2ELANE
SCHEMBL31132213 0.78 PTPN1 (0.55) TP53TSHRALOX15ALOX12
SCHEMBL5317566 0.77 PRKCI (0.36) GABRA1GABRB2ELANECTSGALOX15
SCHEMBL1829987 0.76 TP53 (0.37) TP53TSHRGABRA1GABRB2ELANE
SCHEMBL1829471 0.73 ERN1 (0.34) TSHRALOX12MEN1KMT2AHSD17B10
SCHEMBL1830214 0.72 TYR (0.50) TP53TSHRALOX15MEN1CYP3A4
SCHEMBL5862945 0.72 AHR (0.40) ELANEALDH1A1CYP3A4MAPK1CYP1A2
SCHEMBL3272345 0.72 TSHR (0.45) TP53TSHRGABRA1GABRB2ELANE
SCHEMBL9156986 0.71 GABRA1 (0.48) TP53TSHRGABRA1GABRB2ELANE

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-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed