SCHEMBL9399241

SCHEMBL9399241

CCCCCc1ccc(-c2ncc(C3CCC(CCCCC)CC3)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 2/20 0.35
NPC1 O15118 3/20 0.34
CNR2 P34972 1/20 0.34
RARB P10826 1/20 0.34
LNPEP Q9UIQ6 3/20 0.34
CYP2C9 P11712 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL9399236 1.00 GAA (0.38) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10557899 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL11118127 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10555302 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10554770 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10554850 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10557888 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10559952 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10554361 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL10559894 0.99 MEN1 (0.40) GAAMEN1KMT2ARAB9AMAPT

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 11 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
EP-0126949-B1 FLUORINE-CONTAINING PYRIMIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1989-09-27 EP disclosed
US-4812258-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-03-14 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-0126949-A2 Fluorine-containing pyrimidine derivatives MERCK PATENT GmbH (DE) 1984-12-05 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed