SCHEMBL21037290

SCHEMBL21037290

c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL21923889 0.97 MEN1 (0.38) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21037309 0.95 KDM4E (0.33) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21037313 0.94 KDM4E (0.34) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL16559104 0.94 MEN1 (0.40) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21559154 0.93 KDM4E (0.33) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21559084 0.93 KDM4E (0.33) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL17903130 0.93 MEN1 (0.44) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21559221 0.92 KDM4E (0.34) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL21923970 0.92 KDM4E (0.34) KDM4EMAPTMEN1LMNAOPRK1
SCHEMBL17903141 0.91 MEN1 (0.45) 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