SCHEMBL20140026

SCHEMBL20140026

Cc1c(C=O)cccc1C(=O)N1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX7 Q99572 1/20 0.46
CHRM1 P11229 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL20140581 0.83 KDM4E (0.52) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20141517 0.78 KDM4E (0.49) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL25317158 0.77 MEN1 (0.46) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL29475509 0.77 MEN1 (0.46) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20140579 0.77 ALDH1A1 (0.64) SMN1; SMN2LMNAHTTALDH1A1HSD17B10
SCHEMBL20140681 0.74 ALDH1A1 (0.52) KDM4ELMNAHTTALDH1A1HSD17B10
SCHEMBL20804512 0.73 ALDH1A1 (0.56) KDM4ESMN1; SMN2ALDH1A1HSD17B10CHRM1
SCHEMBL20139894 0.72 MTOR (0.47) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20141494 0.71 HRH3 (0.53) KDM4ESMN1; SMN2LMNAHTTCHRM1
SCHEMBL22105683 0.70 AOC3 (0.53) KDM4ECHRM1

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