SCHEMBL10082012

SCHEMBL10082012

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.40
KMT2A Q03164 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CSF1R P07333 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
SCD O00767 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
RAB9A P51151 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
SCHEMBL13183797 0.83 GCGR (0.37) GCGRALDH1A1CSF1R
SCHEMBL15946100 0.81 GCGR (0.36) GCGRKMT2AMITFALDH1A1TP53
SCHEMBL16786549 0.78 HDAC3 (0.37) GCGRALDH1A1CCNB2CDK1CCNB1
SCHEMBL2735958 0.76 MAPT (0.36) GCGRKMT2AALDH1A1TP53MEN1
SCHEMBL12160961 0.76 FABP1 (0.34) GCGRKMT2AMEN1
SCHEMBL24791093 0.75 GSK3B (0.33) GCGRCCNB2CDK1CCNB1GSK3A
SCHEMBL12160811 0.74 HDAC3 (0.41) KMT2AALDH1A1GSK3BMEN1NPC1
SCHEMBL12160809 0.74 HDAC3 (0.41) KMT2AALDH1A1GSK3BMEN1NPC1
SCHEMBL15305020 0.74 GCGR (0.32) GCGR
SCHEMBL21235674 0.74 MAPT (0.38) GCGRKMT2AALDH1A1CCNB2CDK1

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
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 EP disclosed