SCHEMBL7869035

SCHEMBL7869035

COC(C)OC(C)OC(=O)c1cccc(C)c1Oc1c(F)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRAF P15056 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7866694 0.96 MEN1 (0.33) MEN1KMT2ASMN1; SMN2BRAFALDH1A1
SCHEMBL7870111 0.89 MEN1 (0.33) MEN1KMT2A
SCHEMBL7866652 0.86 SCN1A (0.39) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7870153 0.84 KDM4E (0.38) MEN1KMT2AALDH1A1
SCHEMBL7868307 0.82 SCN1A (0.40) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7869306 0.81 HCRTR1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL7869301 0.80 TSHR (0.43) MEN1KMT2ASMN1; SMN2BRAFALDH1A1
SCHEMBL7866695 0.79 TSHR (0.46) MEN1KMT2ASMN1; SMN2BRAFALDH1A1
SCHEMBL7870097 0.75 AR (0.42) SMN1; SMN2ALDH1A1
SCHEMBL7866640 0.74 SCN1A (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed