SCHEMBL29954586

SCHEMBL29954586

O=Cc1nc2ccc(F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
IDO1 P14902 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.47
AMY1A P0DUB6 5/20 0.45
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
CBFB Q13951 1/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
CYP11B1 P15538 1/20 0.44
TCF4 P15884 1/20 0.44
CTNNB1 P35222 1/20 0.44
MPO P05164 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
TUBB4A P04350 1/20 0.42

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
SCHEMBL1335316 1.00 ALPL (0.51) ALPLALPIALPGIDO1ADAMTS5
SCHEMBL22656517 0.86 KDM4E (0.40) ALPLALPIALPGIDO1ADAMTS5
SCHEMBL29953188 0.79 MAPT (0.57) ALPLALPGADAMTS5HRH4TUBB4A
SCHEMBL29951153 0.79 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28030295 0.79 ADAMTS5 (0.55) ADAMTS5METAP2METAP1CBFB
SCHEMBL29951431 0.79 ALDH1A1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29951338 0.79 ALDH1A1 (0.56) ALPLALPGMETAP2METAP1CBFB
SCHEMBL29951206 0.78 NPBWR1 (0.54) ADAMTS5CBFBHRH4EGLN1
SCHEMBL22656720 0.78 KDM4E (0.45) ADAMTS5CBFBIKBKBCHUKAKT1
SCHEMBL18765292 0.75 ALDH1A1 (0.54) CBFBEGLN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed