SCHEMBL11538802

SCHEMBL11538802

CCCC(=O)NCCN1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HSD17B10 Q99714 2/20 0.42
CASP2 P42575 1/20 0.42
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 1/20 0.36
HTR4 Q13639 2/20 0.36
POLB P06746 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PLD1 Q13393 2/20 0.35

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
SCHEMBL13033282 0.90 MEN1 (0.54) MEN1KMT2ASIGMAR1HSD17B10CASP2
SCHEMBL30645317 0.88 GNAI3 (0.52) CASP2GNAI3GNAO1GNAI1KDM4E
SCHEMBL11981498 0.81 SMN1; SMN2 (0.50) MEN1KMT2ASIGMAR1HSD17B10CASP2
SCHEMBL18784666 0.79 GNAI3 (0.58) MEN1KMT2ASIGMAR1HSD17B10CASP2
SCHEMBL18784665 0.79 GNAI3 (0.58) MEN1KMT2ASIGMAR1HSD17B10CASP2
SCHEMBL84809 0.78 ALDH1A1 (0.55) MEN1KMT2ACASP2KDM4EGAA
SCHEMBL12933657 0.78 KMT2A (0.47) MEN1KMT2ASIGMAR1HSD17B10CHRM5
SCHEMBL8572773 0.77 MEN1 (0.56) MEN1KMT2ASIGMAR1HSD17B10CHRM5
SCHEMBL84807 0.77 ALDH1A1 (0.58) MEN1KMT2ACASP2KDM4EALDH1A1
SCHEMBL8408995 0.77 HDAC2 (0.49) CASP2KDM4EALDH1A1CYP2C19POLB

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-4137416-A 2-Acylamidoethyl-2-imidazolines AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed