SCHEMBL20141266

SCHEMBL20141266

Cc1ccc(C(=O)O)c(C)c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.51
HSD11B1 P28845 5/20 0.46
KDM4E B2RXH2 4/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC2 Q92769 1/20 0.39
PANK3 Q9H999 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
DRD4 P21917 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL20140861 0.84 GRM1 (0.51) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL20139963 0.78 GRM1 (0.54) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL20141549 0.75 GRM1 (0.49) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL20141184 0.74 GRM1 (0.47) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL20141265 0.72 GRM1 (0.51) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL5482402 0.70 GRM1 (0.66) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL20141860 0.70 GRM1 (0.47) GRM1HSD11B1DRD4
SCHEMBL5321658 0.70 GRM1 (0.50) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL30607641 0.70 GRM1 (0.58) GRM1HSD11B1KDM4ERECQLALDH1A1
SCHEMBL26117777 0.70 GRM1 (0.58) GRM1HSD11B1KDM4ERECQLALDH1A1

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