SCHEMBL31056113

SCHEMBL31056113

COC(=O)c1cc(Br)cc2nn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.36
XDH P47989 1/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.35
HTT P42858 1/20 0.35
OPRK1 P41145 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL29267953 1.00 L3MBTL1 (0.39) L3MBTL1NR4A2MAPK1TSHRHSD17B10
SCHEMBL30701408 0.82 SERPINH1 (0.43) L3MBTL1NR4A2MAPK1TSHRALDH1A1
SCHEMBL29116805 0.82 SERPINH1 (0.43) L3MBTL1NR4A2MAPK1TSHRALDH1A1
SCHEMBL24597269 0.81 AKR1C3 (0.42) HSD17B10KDM4EGLA
SCHEMBL30591117 0.76 NR4A2 (0.41) L3MBTL1NR4A2TSHRHSD17B10GAA
SCHEMBL15973251 0.76 NR4A2 (0.41) L3MBTL1NR4A2MAPK1TSHRHSD17B10
SCHEMBL25395312 0.76 NR4A2 (0.41) L3MBTL1NR4A2TSHRHSD17B10GAA
SCHEMBL30618047 0.76 NR4A2 (0.41) L3MBTL1NR4A2MAPK1TSHRHSD17B10
SCHEMBL2011769 0.75 KDM4E (0.43) L3MBTL1NR4A2TSHRHSD17B10GAA
SCHEMBL31512853 0.74 NR4A2 (0.39) L3MBTL1NR4A2MAPK1TSHRXDH

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed