SCHEMBL4410752

SCHEMBL4410752

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GPR55 Q9Y2T6 1/20 0.45
PABPC1 P11940 1/20 0.44
LRRK2 Q5S007 1/20 0.41
MAPK14 Q16539 2/20 0.40

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
SCHEMBL4565964 0.93 MAPK14 (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5489688 0.93 BRAF (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4410224 0.92 MAPK14 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4420870 0.91 MRGPRX4 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4417279 0.90 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTMAPK14
SCHEMBL4413445 0.89 LMNA (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4411102 0.87 MAPK14 (0.42) NPC1MAPK14
SCHEMBL5482540 0.85 RAB9A (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14534466 0.82 MAPK14 (0.45) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14534469 0.81 MAPK14 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed