SCHEMBL9320546

SCHEMBL9320546

Cc1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S100B P04271 1/20 0.35
LMNA P02545 2/20 0.33
S1PR1 P21453 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GLA P06280 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
SCHEMBL16864583 0.89 MEN1 (0.34) MEN1KMT2A
SCHEMBL1644073 0.84 MEN1 (0.43) MEN1KMT2AS100BLMNAS1PR1
SCHEMBL1976230 0.83 MEN1 (0.42) MEN1KMT2AS100BLMNAS1PR1
SCHEMBL29780253 0.83 MEN1 (0.42) MEN1KMT2AS100BLMNAS1PR1
SCHEMBL10969213 0.82 MEN1 (0.33) MEN1KMT2AS100BLMNAALDH1A1
SCHEMBL10966965 0.82 USP2 (0.34) MEN1KMT2ALMNAS1PR1ALDH1A1
SCHEMBL9418783 0.80 MEN1 (0.40) MEN1KMT2AS100BS1PR1ALDH1A1
SCHEMBL9306822 0.80 AR (0.36) MEN1KMT2ALMNA
SCHEMBL11655466 0.78 MEN1 (0.41) MEN1KMT2AS100BLMNAALDH1A1
SCHEMBL132721 0.78 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1POLB

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
US-5068062-A Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material TEIJIN LIMITED (JP) 1991-11-26 US claimed
EP-0336391-B1 Reversibly color-changeable materials TEIJIN LTD (JP) 1994-01-26 EP disclosed
US-5068062-A Crosslinked resin containing 4,4*-diaminodiphenylmethane units with the amine quaternized and an electrolytic material TEIJIN LIMITED (JP) 1991-11-26 US disclosed
EP-0336391-A2 Reversibly color-changeable materials TEIJIN LIMITED (JP) 1989-10-11 EP disclosed