SCHEMBL28899593

SCHEMBL28899593

COC(=O)c1cc(Br)cc2nn(C(F)C(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ELANE P08246 1/20 0.33
OPRK1 P41145 7/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2589630 0.86 L3MBTL1 (0.41) L3MBTL1NR4A2KDM4EELANEOPRK1
SCHEMBL17113166 0.79 L3MBTL1 (0.44) L3MBTL1NR4A2ALDH1A1GAAKDM4E
SCHEMBL28899572 0.78 CYP46A1 (0.38) NR4A2ALDH1A1KDM4ETSHRHTT
SCHEMBL2588229 0.75 KDM4E (0.46) L3MBTL1NR4A2ALDH1A1GAAKDM4E
SCHEMBL23925140 0.74 L3MBTL1 (0.38) L3MBTL1NR4A2ALDH1A1KDM4EOPRK1
SCHEMBL2588944 0.73 PDE4D (0.40) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL20605030 0.71 CNR2 (0.38) L3MBTL1NR4A2ALDH1A1KDM4EOPRK1
SCHEMBL29060507 0.70 KDM4E (0.38) L3MBTL1ALDH1A1KDM4EMAPTPOLB
SCHEMBL23421761 0.69 NOTUM (0.39) L3MBTL1ALDH1A1GAAKDM4ETSHR
SCHEMBL17449301 0.68 MEN1 (0.45) L3MBTL1ALDH1A1KDM4EMAPTLMNA

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
CN-115397812-A Indazole derivatives 豪夫迈·罗氏有限公司 2022-11-25 CN disclosed