SCHEMBL8763175

SCHEMBL8763175

N#CCCc1ccc(Cc2ccc(CCC#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
CALM1 P0DP23 1/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A1 P04798 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
SCHEMBL8764230 0.92 MEN1 (0.64) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL9552869 0.84 KMT2A (0.56) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL9788917 0.80 MEN1 (0.52) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL10897578 0.80 MEN1 (0.52) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL7711099 0.80 MEN1 (0.52) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL24465852 0.80 MEN1 (0.52) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL4418130 0.80 CA2 (0.52) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL5690474 0.80 MEN1 (0.52) MEN1KMT2AMMP9MMP13ALDH1A1
SCHEMBL450038 0.80 ESR1 (0.59) MEN1KMT2AALDH1A1TDP1CYP3A4
SCHEMBL1066422 0.80 MEN1 (0.52) MEN1KMT2AALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed