SCHEMBL904405

SCHEMBL904405

Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDK2 Q15119 3/20 0.36
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL12003630 1.00 KDM4E (0.37) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL12469365 0.95 PDK2 (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL905062 0.94 PDK2 (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL904953 0.94 PDK2 (0.35) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL12061273 0.93 PDK2 (0.38) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL905015 0.93 PDK2 (0.38) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL905053 0.93 PDK2 (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL905049 0.93 KDM4E (0.33) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL18164866 0.92 KDM4E (0.41) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL18090349 0.92 KDM4E (0.41) KDM4EMAPTMEN1KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012043996-A2 COMPOUND IN WHICH AMINE DERIVATIVE IS SUBSTITUTED WITH FLUORENE, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-04-05 WO disclosed
WO-2012043996-A2 COMPOUND IN WHICH AMINE DERIVATIVE IS SUBSTITUTED WITH FLUORENE, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL THEREOF 덕산하이메탈(주) (KR) 2012-04-05 WO disclosed