SCHEMBL29953014

SCHEMBL29953014

N#CCCn1nc(C(F)(F)F)c(C=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GRIA2 P42262 1/20 0.31
MAPT P10636 1/20 0.31
NOTUM Q6P988 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL15330365 0.86 MAPK14 (0.34) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL29955381 0.81 KDM4E (0.34) KDM4ECYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL756337 0.78 CYP1A2 (0.33) KDM4EHTTALDH1A1TSHRCYP1A2
SCHEMBL15332807 0.78 KDM4E (0.39) KDM4EPKMHTTALDH1A1HPGD
SCHEMBL939241 0.77 KDM4E (0.35) KDM4ECYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL2569093 0.77 CYP1A2 (0.32) KDM4ECYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL15330148 0.77 KDM4E (0.35) KDM4ECYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL15330438 0.75 KMT2A (0.34) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29958133 0.74 LMNA (0.37) KDM4EMEN1KMT2AMAPT
SCHEMBL2555366 0.74 KDM4E (0.33) KDM4EKMT2ACYP1A2CYP2C9CYP2C19

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