SCHEMBL5489688

SCHEMBL5489688

COc1cc(COc2ccc(NC(=O)c3cc(NC(=O)c4cc(C(C)(C)C)cc(C#N)c4OC)cnc3C)cc2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
GSK3A P49840 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK14 Q16539 4/20 0.37
POLB P06746 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL4410752 0.93 NPC1 (0.46) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL4565964 0.92 MAPK14 (0.42) BRAFMEN1KMT2ALMNAMAPT
SCHEMBL4413445 0.92 LMNA (0.44) BRAFMEN1KMT2ALMNAGAA
SCHEMBL4410224 0.90 MAPK14 (0.43) BRAFMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4420870 0.89 MRGPRX4 (0.43) BRAFMEN1KMT2ALMNAGAA
SCHEMBL4417279 0.88 MAPT (0.41) BRAFMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4411102 0.85 MAPK14 (0.42) GSK3ANPC1MAPK14
SCHEMBL14534466 0.81 MAPK14 (0.45) MEN1KMT2ALMNAGAAMAPT
SCHEMBL14534469 0.80 MAPK14 (0.43) MEN1KMT2ALMNAGAAMAPT
SCHEMBL4409868 0.80 ALDH1A1 (0.47) MEN1KMT2ALMNAGAAMAPT

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed