SCHEMBL10000790

SCHEMBL10000790

CCCCCC1CCC(c2ccc(C#N)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 3/20 0.38
CYP2C9 P11712 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPK1 P28482 3/20 0.36
SPHK1 Q9NYA1 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 2/20 0.35
ESR2 Q92731 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
SCHEMBL16349362 0.99 MAPT (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL29989 0.85 ACACB (0.38) MAPTALDH1A1LMNACYP2C9ACACB
SCHEMBL9160404 0.83 MEN1 (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL9160407 0.83 MEN1 (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL11069053 0.82 MAPT (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL11070673 0.82 MAPT (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL30001 0.82 MAPT (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL11070687 0.82 MAPT (0.40) MAPTALDH1A1LMNAGAACYP2C9
SCHEMBL2860558 0.81 KDM4E (0.39) ALDH1A1KMT2ASMN1; SMN2ACACB
SCHEMBL9798006 0.80 KDM4E (0.53) MAPTALDH1A1GAACYP2C9NPC1

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 4 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
EP-2609172-B1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-07 EP disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed