SCHEMBL18725902

SCHEMBL18725902

C#COCCOCCOCCN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CHRM2 P08172 7/20 0.36
CHRM1 P11229 7/20 0.36
KDM4E B2RXH2 4/20 0.36
DRD3 P35462 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC22A1 O15245 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
PRCP P42785 1/20 0.33

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
SCHEMBL18725903 1.00 MEN1 (0.44) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL18725915 0.88 BLM (0.33) MEN1KMT2APOLBBLMPMP22
SCHEMBL18725908 0.88 BLM (0.33) MEN1KMT2APOLBBLMPMP22
SCHEMBL3227323 0.87 KMT2A (0.40) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL9705183 0.82 MEN1 (0.58) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL12918863 0.82 MEN1 (0.58) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL8359063 0.79 MEN1 (0.44) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL135077 0.79 MEN1 (0.61) MEN1KMT2APOLBCHRM2CHRM1
SCHEMBL18725917 0.78 CA12 (0.42) CHRM2CHRM1KDM4EALDH1A1
SCHEMBL18725905 0.78 CA12 (0.42) CHRM2CHRM1KDM4EALDH1A1

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
EP-2824108-B1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES TIANJIN HEMAY BIO-TECH CO LTD (CN) 2017-04-19 EP claimed