SCHEMBL4409369

SCHEMBL4409369

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCC3CCCO3)on2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 1/20 0.47
HPGD P15428 4/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.42
ROCK2 O75116 1/20 0.42
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4415213 0.90 RAF1 (0.45) RAB9ANPC1KMT2ARAF1BRAF
SCHEMBL5604188 0.89 RAB9A (0.52) RAB9ANPC1KDM4EHPGDKMT2A
SCHEMBL14473330 0.87 KDM4E (0.47) RAB9ANPC1KDM4EHPGDKMT2A
SCHEMBL4420133 0.86 RAB9A (0.48) RAB9ANPC1KDM4EHPGDKMT2A
SCHEMBL4411700 0.86 MEN1 (0.43) KDM4EKMT2ATSHRALDH1A1CYP1A2
SCHEMBL4413480 0.84 RAF1 (0.45) NPC1KMT2ASMN1; SMN2RAF1BRAF
SCHEMBL4551944 0.83 NR1H4 (0.46) KMT2ATSHRRAF1BRAFMEN1
SCHEMBL4420074 0.82 RAF1 (0.49) RAB9ANPC1KDM4ELMNARAF1
SCHEMBL14473326 0.82 RAB9A (0.51) RAB9ANPC1HPGDKMT2ATSHR
SCHEMBL4412543 0.82 ALDH1A1 (0.42) RAB9ANPC1KDM4EKMT2AALDH1A1

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 4 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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed