SCHEMBL20140581

SCHEMBL20140581

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43
PPARG P37231 1/20 0.43
MGLL Q99685 1/20 0.41
SLC27A1 Q6PCB7 2/20 0.41
MAPT P10636 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
SCHEMBL20141517 0.85 KDM4E (0.49) KDM4ELMNASMN1; SMN2HTTMEN1
SCHEMBL20140053 0.84 GRM1 (0.53)
SCHEMBL20157096 0.84 GRM1 (0.53)
SCHEMBL20157095 0.84 GRM1 (0.53)
SCHEMBL20140074 0.83 MAPT (0.50) KDM4ELMNAALDH1A1HRH3PPARG
SCHEMBL20140026 0.83 KDM4E (0.57) KDM4ELMNASMN1; SMN2HTTMEN1
SCHEMBL25317158 0.81 MEN1 (0.46) KDM4ELMNASMN1; SMN2HTTMEN1
SCHEMBL29475509 0.81 MEN1 (0.46) KDM4ELMNASMN1; SMN2HTTMEN1
SCHEMBL20140681 0.78 ALDH1A1 (0.52) KDM4ELMNAHTTMEN1CYP1A2
SCHEMBL20141007 0.76 PKM (0.48) KDM4ELMNASMN1; SMN2HTTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed