SCHEMBL9399328

SCHEMBL9399328

CCCCCc1ccc(-c2cnc(C3CCC(CCCCC)CC3)nc2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CNR2 P34972 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30
CYP3A4 P08684 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
SCHEMBL9399320 1.00 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9399271 0.88 GAA (0.32) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9399262 0.88 GAA (0.32) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9399201 0.88 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9398741 0.88 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9398730 0.88 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9399189 0.88 GAA (0.36) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9399372 0.87 FFAR4 (0.37) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9399385 0.87 FFAR4 (0.37) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL9398633 0.85 EP300 (0.33) GAAMAPTMEN1KMT2AMAPK1

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