SCHEMBL7231979

SCHEMBL7231979

CCCC/C=C(/F)c1ccc(-c2ncc(CCC)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.51
SMN1; SMN2 Q16637 10/20 0.42
RAB9A P51151 9/20 0.42
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 8/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
THRB P10828 2/20 0.34

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
SCHEMBL7231681 0.90 RARB (0.62) RARBSMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL16562717 0.85 RARB (0.46) RARBSMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL7231010 0.84 RARB (0.47) RARBRAB9AMAPTMEN1KMT2A
SCHEMBL7765141 0.84 RARB (0.47) RARBRAB9AMAPTMEN1KMT2A
SCHEMBL7231017 0.84 RARB (0.47) RARBRAB9AMAPTMEN1KMT2A
SCHEMBL7231049 0.84 RARB (0.47) RARBRAB9AMAPTMEN1KMT2A
SCHEMBL7228510 0.80 RARB (0.49) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL7228506 0.80 RARB (0.49) RARBMAPTMEN1KMT2AALDH1A1
SCHEMBL16560005 0.80 RARB (0.46) RARBSMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL16560098 0.78 RARB (0.45) RARBSMN1; SMN2RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6623810-B2 Refractive index anisotropy SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-23 US disclosed
US-20010050353-A1 Phenylacetylene compound, liquid crystal composition, and liquid crystal element produced with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-13 US disclosed
EP-0781827-B1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2001-06-13 EP disclosed
US-6149837-A SUBSTITUTED 1,4-BIS(SUBSTITUED PHENYLACETYLENE)BENZENE WHERE AT LEAST ONE RING HAS AN ALKYL ATTACHMENT, HAS A LARGE ANISOTROPY OF REFRACTIVE INDEX, TENDS TO BE MIXED WITH OTHER LIQUID CRYSTALS, IS LIGHT STABLE; LIQUID CRYSTAL ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-21 US disclosed
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed