SCHEMBL20169118

SCHEMBL20169118

c1ccc(CCCNCNCCCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 10/20 0.82
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ DRD2 P14416 1/20 0.60
▸ DRD4 P21917 1/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL4254894 0.90 SIGMAR1 (1.00) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL2538905 0.88 SIGMAR1 (0.95) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL8092310 0.86 SIGMAR1 (0.95) SIGMAR1
SCHEMBL625373 0.86 SIGMAR1 (1.00) SIGMAR1DRD2DRD4DRD3KCNH2
SCHEMBL8608190 0.85 SIGMAR1 (0.67) SIGMAR1KCNH2L3MBTL1
SCHEMBL4065566 0.84 SIGMAR1 (0.88) SIGMAR1MEN1KMT2A
SCHEMBL8084446 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8092723 0.84 SIGMAR1 (1.00) SIGMAR1
SCHEMBL8084220 0.83 SIGMAR1 (0.95) SIGMAR1L3MBTL1
SCHEMBL18753914 0.83 L3MBTL1 (0.81) SIGMAR1MEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011772-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-03 — — US disclosed
US-9976086-B2 Liquid crystal aligning agent containing polyimide precursor having thermally-leaving group and/or polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 — — US disclosed
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