SCHEMBL20763591

SCHEMBL20763591

COC(=O)c1cc(OC(C)(F)F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TYK2 P29597 1/20 0.41
PDK2 Q15119 4/20 0.40
CFTR P13569 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14915775 0.91 TDP1 (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL1180024 0.80 KDM4E (0.60) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL21434767 0.78 PDK2 (0.47) MAPTKDM4ETDP1CYP2C9TYK2
SCHEMBL2138024 0.76 MEN1 (0.49) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3115745 0.76 CFTR (0.62) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL15809020 0.76 MAOB (0.47) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL11858023 0.76 CFTR (0.45) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28081598 0.75 MEN1 (0.48) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL31118372 0.75 MEN1 (0.45) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL20203959 0.75 CYP4F2 (0.57) KMT2AALDH1A1TSHRTDP1CYP1A2

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-2019035951-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2019-02-21 WO disclosed