SCHEMBL8089580

SCHEMBL8089580

CCc1cc[c]c(Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CALM1 P0DP23 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
KIF11 P52732 3/20 0.35
BCL2 P10415 2/20 0.34
BCL2L1 Q07817 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.33
LTA4H P09960 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
IDH1 O75874 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2093279 0.86 CALM1 (0.50) CALM1BCL2BCL2L1LMNALTA4H
SCHEMBL7460513 0.85 CALM1 (0.44) TP53CALM1CYP1A2BCL2BCL2L1
SCHEMBL27884718 0.81 LOXL2 (0.46) CALM1CYP1A2CYP2A6KIF11BCL2
SCHEMBL311359 0.80 TRPA1 (0.38) TP53CYP1A2CYP2A6KIF11MAPT
SCHEMBL2852601 0.79 CALM1 (0.41) TP53CALM1BCL2BCL2L1NPC1
SCHEMBL14989155 0.76 SMN1; SMN2 (0.33) CALM1CYP1A2NPC1ALDH1A1MAPK1
SCHEMBL6981018 0.76 MAOB (0.42) CALM1BCL2BCL2L1MAPTALDH1A1
SCHEMBL8602727 0.76 ALOX5 (0.47) CALM1BCL2BCL2L1SMN1; SMN2IDH1
SCHEMBL7014345 0.76 CALM1 (0.41) CALM1CYP1A2BCL2BCL2L1ALDH1A1
SCHEMBL16601111 0.76 CALM1 (0.41) CALM1BCL2BCL2L1MAPTNPC1

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 3 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
US-5294720-A Viricides THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-15 US disclosed