SCHEMBL9399262

SCHEMBL9399262

CCCCCc1ccc(-c2cnc(CC[C@H]3CC[C@H](CCCCC)CC3)nc2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 3/20 0.31
LNPEP Q9UIQ6 3/20 0.31
CNR1 P21554 2/20 0.30
CEL P19835 1/20 0.30

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
SCHEMBL9399271 1.00 GAA (0.32) GAAMAPTMEN1MAPK1KMT2A
SCHEMBL9399320 0.88 GAA (0.36) GAAMAPTMEN1MAPK1KMT2A
SCHEMBL9399328 0.88 GAA (0.36) GAAMAPTMEN1MAPK1KMT2A
SCHEMBL9399221 0.87 CEL (0.35) GAAMAPTCNR2LNPEPCNR1
SCHEMBL9398924 0.87 LNPEP (0.35) GAAMAPTMEN1KMT2ACNR2
SCHEMBL9398920 0.87 LNPEP (0.35) GAAMAPTMEN1KMT2ACNR2
SCHEMBL9399226 0.87 CEL (0.35) GAAMAPTCNR2LNPEPCNR1
SCHEMBL9399400 0.86 CNR2 (0.35) GAAMAPTMEN1KMT2ACNR2
SCHEMBL9399406 0.86 CNR2 (0.35) GAAMAPTMEN1KMT2ACNR2
SCHEMBL9398633 0.86 EP300 (0.33) GAAMAPTMEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed