SCHEMBL8095649

SCHEMBL8095649

CC(C)c1ccc(-c2[c]ccc(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
NOTUM Q6P988 2/20 0.33
PTPN5 P54829 2/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
MAPK13 O15264 1/20 0.32
GCGR P47871 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6494848 0.83 LMNA (0.36) MAPTNOTUMPTPN5TNKSPARP1
SCHEMBL5797082 0.81 MAOB (0.35) MAPTTNKSPARP1TNKS2NPC1
SCHEMBL9128405 0.79 TAAR1 (0.47) MAPTGCGRMAPK14NPC1RAB9A
SCHEMBL9648734 0.79 ACHE (0.41) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL436469 0.79 NOTUM (0.38) NOTUMMAPK14NPC1RAB9ATP53
SCHEMBL8089002 0.79 CASR (0.39) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL22463151 0.76 AHR (0.46) MAPTNOTUMNPC1RAB9ATP53
SCHEMBL10644670 0.76 PTGS2 (0.37) MAPTNOTUMTNKSPARP1TNKS2
SCHEMBL5736161 0.76 PTPN5 (0.34) NOTUMPTPN5TNKSPARP1TNKS2
SCHEMBL5796805 0.76 ESR2 (0.47) KIF11

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
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed