SCHEMBL4413435

SCHEMBL4413435

CNC(=O)c1cc(C(=O)Nc2cnc(C)c(C(=O)Nc3ccc(OCc4ccncc4)cc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
RAB9A P51151 5/20 0.44
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NAMPT P43490 1/20 0.40
LMNA P02545 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
POLB P06746 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40
BRAF P15056 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL14534686 0.91 MAPK14 (0.47) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4417839 0.89 MAPK14 (0.45) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL5496963 0.86 MAPK14 (0.44) MAPK14SMN1; SMN2MAPTPOLB
SCHEMBL14534466 0.84 MAPK14 (0.45) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL14534684 0.83 RAB9A (0.50) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4409868 0.82 ALDH1A1 (0.47) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL14534469 0.82 MAPK14 (0.43) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL5482540 0.81 RAB9A (0.48) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4565964 0.80 MAPK14 (0.42) MAPK14RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4417851 0.79 MAPK14 (0.44) MAPK14RAB9AKMT2ANPC1SMN1; SMN2

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