SCHEMBL11225823

SCHEMBL11225823

CCCCN(CCCC)c1ccc(C(O)c2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 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
SCHEMBL3432679 0.93 CNR2 (0.56) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL11228670 0.93 CNR2 (0.46) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL655214 0.84 CNR2 (0.49) CNR2EGFRERBB2NR1H2NR1H3
SCHEMBL7153351 0.83 EGFR (0.50) CNR2EGFRERBB2NR1H2NR1H3
SCHEMBL11974253 0.82 CNR2 (0.48) CNR2MEN1KMT2ASMN1; SMN2EGFR
SCHEMBL4116469 0.79 ALDH1A1 (0.56) CNR2MEN1KMT2AGAAALDH1A1
SCHEMBL5011771 0.79 CNR2 (0.49) CNR2EGFRERBB2ALDH1A1TSHR
SCHEMBL17663681 0.79 EGFR (0.47) CNR2EGFRERBB2NR1H2NR1H3
SCHEMBL2014159 0.79 EGFR (0.47) CNR2EGFRERBB2NR1H2NR1H3
SCHEMBL768272 0.79 EGFR (0.47) CNR2EGFRERBB2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349454-A ENCAPSULATION OF A HYDROPHOBIC-SOLVENT SOLUTION OF A DIAMINODIARYL METHANE SULFONE DERIVATIVE KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-09-14 US disclosed