SCHEMBL9399034

SCHEMBL9399034

CCCCCCCc1cnc(-c2ccc(CCCCC)cc2F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.50
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR2A P28223 1/20 0.44
GPR3 P46089 1/20 0.43
NPC1 O15118 4/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41

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
SCHEMBL9399411 0.98 RARB (0.48) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9398666 0.96 RARB (0.49) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9398829 0.96 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL9165115 0.90 RARB (0.50) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7514317 0.90 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7516236 0.90 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7519479 0.90 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7515434 0.90 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7510828 0.90 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL7520054 0.90 RARB (0.43) RARBRAB9ASMN1; SMN2MAPTKDM4E

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 7 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-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