SCHEMBL18721990

SCHEMBL18721990

CC1CCC(c2ccc(F)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHODH Q02127 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SPR P35270 1/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 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
SCHEMBL30144812 0.90 KDM4E (0.42) ESR2KDM4EGLAHTTKMT2A
SCHEMBL595630 0.90 KDM4E (0.42) ESR2KDM4EGLAHTTKMT2A
SCHEMBL25356663 0.82 KDM4E (0.51) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL9154255 0.81 KDM1A (0.36) ESR2KDM4EGLAHTTKMT2A
SCHEMBL9154250 0.81 KDM1A (0.36) ESR2KDM4EGLAHTTKMT2A
SCHEMBL18722125 0.80 ESR2 (0.45) ESR2KDM4EGLAHTTKMT2A
SCHEMBL9158730 0.80 SPHK1 (0.38) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL9158726 0.80 SPHK1 (0.38) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL15448506 0.79 ESR2 (0.50) ESR2KDM4EGLAHTTKMT2A
SCHEMBL13085544 0.79 QDPR (0.47) KDM1AMAOAMAOBSPR

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 1 patent. 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