SCHEMBL9399095

SCHEMBL9399095

CCCCCc1ccc(-c2cnc(-c3ccc(CCCCC)c(F)c3)nc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RARB P10826 5/20 0.42
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
NPC1 O15118 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
TYR P14679 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9398777 0.92 RAB9A (0.57) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL9398825 0.92 MAPT (0.53) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10558821 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10559159 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10559373 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10554429 0.91 RAB9A (0.52) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10556881 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10562251 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10558666 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10555173 0.91 MAPT (0.56) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10

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