SCHEMBL4401772

SCHEMBL4401772

Cc1ccc(C)c(-c2cccc(-c3ccccn3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
CCR1 P32246 3/20 0.58
CCR5 P51681 3/20 0.58
CCR8 P51685 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALPL P05186 1/20 0.58
HSP90AA1 P07900 1/20 0.58
ALPI P09923 1/20 0.58
ALPG P10696 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 4/20 0.47

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
SCHEMBL16806017 0.88 KDM4E (0.50) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL4406997 0.88 TP53 (0.51) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL4407010 0.88 KDM4E (0.51) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL4401765 0.88 KMT2A (0.45) KDM4ECCR1CCR8SMN1; SMN2TP53
SCHEMBL4401741 0.87 KDM4E (0.50) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL9228375 0.86 CCR1 (0.49) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL13962549 0.84 CCR1 (0.52) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL12731340 0.83 KDM4E (0.67) KDM4ECCR1CCR5CCR8SMN1; SMN2
SCHEMBL4404668 0.82 MEN1 (0.53) KDM4ETP53LMNAL3MBTL1TDP1
SCHEMBL10110964 0.82 KDM4E (0.60) KDM4ESMN1; SMN2TP53LMNAL3MBTL1

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
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 US disclosed