SCHEMBL29955740

SCHEMBL29955740

CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.38
SORT1 Q99523 1/20 0.38
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL126184 0.84 SYK (0.38) ALDH1A1L3MBTL1GAAKDRLMNA
SCHEMBL5681020 0.81 HTT (0.38) SMN1; SMN2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21598618 0.80 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL4005263 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL5677055 0.80 KDR (0.38) ALDH1A1L3MBTL1KMT2AMEN1KDR
SCHEMBL5126193 0.76 ADORA1 (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL6094043 0.74 TACR1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTKMT2A
SCHEMBL1375331 0.74 L3MBTL1 (0.45) SMN1; SMN2ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL16611723 0.73 KDR (0.42) ALDH1A1L3MBTL1MAPTKDRCYP1A2
SCHEMBL29728357 0.73 KDR (0.42) ALDH1A1L3MBTL1MAPTKDRCYP1A2

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