SCHEMBL8457107

SCHEMBL8457107

N#C/C=C/C=C/[C@H]1CC[C@H](OC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 2/20 0.36
▸ SCN2A Q99250 2/20 0.36
▸ SCN3A Q9NY46 2/20 0.36
▸ PTPN2 P17706 3/20 0.36
▸ PTPN1 P18031 3/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ SERPINE1 P05121 1/20 0.35
▸ STS P08842 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTPRF P10586 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL8457119 1.00 SCN1A (0.36) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457114 1.00 SCN1A (0.36) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457108 1.00 SCN1A (0.36) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457945 0.91 SCN1A (0.39) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457933 0.91 SCN1A (0.39) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457937 0.91 SCN1A (0.39) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457947 0.91 SCN1A (0.39) SCN1ASCN2ASCN3APTPN2PTPN1
SCHEMBL8457166 0.88 SERPINE1 (0.38) SERPINE1KMT2ASMN1; SMN2RAB9A
SCHEMBL8450055 0.88 KDM4E (0.38) SCN1ASCN2ASCN3AMAPTKMT2A
SCHEMBL8450051 0.88 KDM4E (0.38) SCN1ASCN2ASCN3AMAPTKMT2A

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-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 — — US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 — — EP disclosed
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