SCHEMBL30001

SCHEMBL30001

CCCCCCC1CCC(c2cnc(C#N)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
SPHK1 Q9NYA1 4/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 3/20 0.34
CYP2C9 P11712 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11070673 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ACTSS
SCHEMBL11070687 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ACTSS
SCHEMBL11069053 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ACTSS
SCHEMBL9160407 0.99 MEN1 (0.40) MAPTGAAMEN1KMT2ACTSS
SCHEMBL9160404 0.99 MEN1 (0.40) MAPTGAAMEN1KMT2ACTSS
SCHEMBL8034606 0.94 MEN1 (0.38) MAPTGAAMEN1KMT2ACTSS
SCHEMBL8034613 0.94 MEN1 (0.38) MAPTGAAMEN1KMT2ACTSS
SCHEMBL11071734 0.88 CYP2C9 (0.43) MAPTMEN1KMT2ACTSSCTSK
SCHEMBL11071736 0.88 CYP2C9 (0.43) MAPTMEN1KMT2ACTSSCTSK
SCHEMBL16349362 0.84 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1

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-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
US-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US disclosed