SCHEMBL31276

SCHEMBL31276

CC1CCC(COc2cc(F)c(C#N)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.38
PARP15 Q460N3 1/20 0.38
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN9A Q15858 2/20 0.37
KDM1A O60341 5/20 0.37
TRPV4 Q9HBA0 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
KAT6A Q92794 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
SCHEMBL8004625 0.87 PARP10 (0.38) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL18721877 0.84 PARP10 (0.51) PARP10PARP15
SCHEMBL16490706 0.84 PARP10 (0.41) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL31347 0.83 HPGD (0.39) PARP10PARP15HPGDSIGMAR1KDM1A
SCHEMBL17548007 0.83 PARP10 (0.40) PARP10PARP15HPGDSCN9AKAT6A
SCHEMBL8021683 0.82 PARP10 (0.45) PARP10PARP15HPGDSIGMAR1SCN9A
SCHEMBL8017240 0.82 PARP10 (0.52) PARP10PARP15SCN9A
SCHEMBL8021681 0.82 PARP10 (0.45) PARP10PARP15HPGDSIGMAR1SCN9A
SCHEMBL8017236 0.82 PARP10 (0.52) PARP10PARP15SCN9A
SCHEMBL29994 0.81 TRPV4 (0.54) PARP10PARP15HPGDSIGMAR1SCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed