SCHEMBL28025946

SCHEMBL28025946

CCCCCCCCCC(CCCCCCCC)=NCCCN

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DNM1 Q05193 8/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
DHPS P49366 1/20 0.40
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38

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
SCHEMBL11766507 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1TSHRPRSS1
SCHEMBL20054084 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1TSHRPRSS1
SCHEMBL11761404 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1TSHRPRSS1
SCHEMBL11762369 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRSPHK2
SCHEMBL11766652 0.80 CES2 (0.42) MEN1KMT2AALDH1A1TSHRCES2
SCHEMBL11766649 0.80 CES2 (0.42) MEN1KMT2AALDH1A1TSHRCES2
SCHEMBL24520875 0.79 DNM1 (0.42) MEN1KMT2ADNM1ALDH1A1TSHR
SCHEMBL10432262 0.72 MEN1 (0.45) MEN1KMT2AALDH1A1TSHRPRSS1
SCHEMBL20054090 0.72 CES2 (0.43) MEN1KMT2AALDH1A1TSHRSPHK2
SCHEMBL22926287 0.71 MEN1 (0.54) MEN1KMT2ADNM1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105134381-A Method and System for Compressor On Line Water Washing With Anticorrosive Solution GEN ELECTRIC 2015-12-09 CN claimed
CN-105179088-A Method And System For Dispensing Gas Turbine Anticorrosive Protection GEN ELECTRIC 2015-12-23 CN disclosed
CN-105134381-A Method and System for Compressor On Line Water Washing With Anticorrosive Solution GEN ELECTRIC 2015-12-09 CN disclosed
CN-104819055-A Method and System for Dispensing Gas Turbine Anticorrosive Protection GEN ELECTRIC 2015-08-05 CN disclosed