SCHEMBL27891723

SCHEMBL27891723

CCN(CC)CCNCc1cc2c3ccccc3n(Cc3ccccc3)c2c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ATM Q13315 1/20 0.40
MAPK1 P28482 2/20 0.40
RAD52 P43351 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL27908719 0.93 MEN1 (0.42) KDM4EMEN1KMT2AATMMAPK1
SCHEMBL27908716 0.89 ABCB1 (0.41) KDM4EMEN1KMT2ARAD52APOBEC3G
SCHEMBL27891731 0.82 KDM4E (0.45) KDM4EMEN1KMT2AATMMAPK1
SCHEMBL27891749 0.78 KMT2A (0.42) KDM4EMEN1KMT2AATMMAPK1
SCHEMBL27891759 0.78 MCL1 (0.48) KDM4EMEN1KMT2AATMCYP1A2
SCHEMBL27939722 0.77 CYP19A1 (0.50) KDM4EMEN1KMT2AMAPK1CYP1A2
SCHEMBL27891739 0.77 ABCB1 (0.41) KDM4EMEN1KMT2AATMMAPK1
SCHEMBL28375498 0.76 KDM4E (0.46) KDM4EMEN1KMT2AMAPK1CYP1A2
SCHEMBL27891748 0.75 MEN1 (0.44) KDM4EMEN1KMT2AATMCYP19A1
SCHEMBL28374241 0.75 KDM4E (0.45) KDM4EMEN1KMT2AMAPK1CYP1A2

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
CN-102146080-B Beta-carboline alkali derivative compounds and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD 2013-01-30 CN claimed