SCHEMBL21037308

SCHEMBL21037308

CC1(C)c2ccccc2-c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 3/20 0.36
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21559367 1.00 KDM4E (0.38) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL25563003 0.97 KDM4E (0.38) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL20127757 0.97 KDM4E (0.40) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21923973 0.97 MEN1 (0.40) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21924615 0.96 KDM4E (0.39) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21927028 0.96 KDM4E (0.39) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21923965 0.96 KDM4E (0.39) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21924617 0.96 KDM4E (0.39) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL17854591 0.96 MEN1 (0.41) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21037298 0.95 KDM4E (0.35) KDM4EMAPTMEN1LMNAOPRK1

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
WO-2019103397-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-05-31 WO disclosed