SCHEMBL9399856

SCHEMBL9399856

CCCCCC1CCC(CCc2ncc(-c3ccc(OCCCC)c(Br)c3)cn2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
PTPN11 Q06124 4/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 2/20 0.33
GAK O14976 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL9399851 1.00 KDM4E (0.35) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9399841 0.87 TLR7 (0.43) THRATHRBTDP1TLR9TLR8
SCHEMBL9399502 0.87 SMN1; SMN2 (0.41) KDM4EMEN1KMT2AHPGDS1PR1
SCHEMBL9398863 0.87 GAA (0.35) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9399834 0.87 TLR7 (0.43) THRATHRBTDP1TLR9TLR8
SCHEMBL9399513 0.87 SMN1; SMN2 (0.41) KDM4EMEN1KMT2AHPGDS1PR1
SCHEMBL9398856 0.87 GAA (0.35) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9398972 0.86 THRA (0.35) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9398967 0.86 THRA (0.35) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL9399347 0.86 HPGD (0.35) MEN1KMT2APTPN11PTPN1PTPN6

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