SCHEMBL905049

SCHEMBL905049

Brc1cc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(N(c2ccccc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 1/20 0.32
CYP2A6 P11509 1/20 0.30

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
SCHEMBL10053381 0.94 PDK2 (0.34) PDK2CYP2A6
SCHEMBL18164858 0.94 PDK2 (0.34) PDK2CYP2A6
SCHEMBL12003630 0.93 KDM4E (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL904405 0.93 KDM4E (0.37) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL17807013 0.92 CYP2A6 (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL24622288 0.92 KDM4E (0.38) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL21037289 0.89 MEN1 (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL17903079 0.89 MEN1 (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL16996119 0.89 MEN1 (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL17807018 0.88 CYP2A6 (0.33) KDM4EMEN1LMNAMAPTOPRK1

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-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