SCHEMBL11228670

SCHEMBL11228670

CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccc(C(O)c2ccc(N(CCCCCCCCCCCC)CCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNM1 Q05193 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39

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
SCHEMBL11225823 0.93 CNR2 (0.50) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL3432679 0.86 CNR2 (0.56) CNR2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL80942 0.85 CNR2 (0.44) CNR2DNM1EGFRERBB2
SCHEMBL3901022 0.85 CNR2 (0.44) CNR2DNM1EGFRERBB2
SCHEMBL12677177 0.84 CNR2 (0.46) CNR2DNM1EGFRERBB2
SCHEMBL1815516 0.84 CNR2 (0.46) CNR2DNM1EGFRERBB2
SCHEMBL14496272 0.84 CNR2 (0.54) CNR2MEN1KMT2ASMN1; SMN2EGFR
SCHEMBL1459455 0.82 EGFR (0.44) CNR2DNM1EGFRERBB2
SCHEMBL4876985 0.81 CNR2 (0.52) CNR2MEN1KMT2ASMN1; SMN2EGFR
SCHEMBL12304297 0.81 CNR2 (0.44) CNR2DNM1EGFRERBB2

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