SCHEMBL15946100

SCHEMBL15946100

CC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=N/C2=C(/c2ccccc2)c2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NR2F2 P24468 1/20 0.33
CSF1R P07333 1/20 0.32
TRPV1 Q8NER1 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 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
SCHEMBL12160961 0.92 FABP1 (0.34) GCGRKMT2AMEN1HDAC6HDAC3
SCHEMBL12160807 0.90 HDAC3 (0.37) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL12160809 0.90 HDAC3 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL12160811 0.90 HDAC3 (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL16786549 0.88 HDAC3 (0.37) GCGRALDH1A1HDAC6HDAC3HDAC4
SCHEMBL2735958 0.84 MAPT (0.36) GCGRKMT2AMEN1NPC1RAB9A
SCHEMBL21235674 0.81 MAPT (0.38) GCGRKMT2AMEN1NPC1RAB9A
SCHEMBL10082012 0.81 GCGR (0.40) GCGRKMT2AMEN1NPC1RAB9A
SCHEMBL12160964 0.80 GPR84 (0.37) NPC1RAB9AHDAC6HDAC3HDAC4
SCHEMBL24791093 0.79 GSK3B (0.33) GCGRHDAC6HDAC3HDAC4HDAC1

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-2014123238-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2014-08-14 WO disclosed