SCHEMBL12331978

SCHEMBL12331978

CCNCCOc1cc(C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
SCN9A Q15858 4/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NOTUM Q6P988 1/20 0.39
MAOB P27338 2/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
ATF1 P18846 1/20 0.35

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
SCHEMBL31144917 0.84 PLA2G2A (0.47) RHOCRHOAGAAALDH1A1MAOB
SCHEMBL31144862 0.81 GPBAR1 (0.46) RHOCRHOASCN9AGAAALDH1A1
SCHEMBL12130271 0.79 AURKA (0.47) ALDH1A1KDM4EMAOBAURKARPS6KB1
SCHEMBL6309831 0.75 PARP10 (0.62) ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL31144953 0.74 PARP1 (0.50) GAAKDM4ENOTUMMAOBRXRA
SCHEMBL628410 0.74 PARP1 (0.50) GAAKDM4ENOTUMMAOBRXRA
SCHEMBL26146858 0.74 MAOB (0.40) SCN9AGAAKDM4ENOTUMMAOB
SCHEMBL12130332 0.73 LTA4H (0.52) GAAALDH1A1KDM4EAURKARPS6KB1
SCHEMBL31144913 0.72 NOTUM (0.58) RHOCRHOAALDH1A1NOTUMMAPT
SCHEMBL17056237 0.71 PLA2G2A (0.63) FAAHTSHR

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-2011109799-A1 NUCLEAR TRANSPORT MODULATIORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2011-09-09 WO disclosed