SCHEMBL4412422

SCHEMBL4412422

Cc1ccc(NC(=O)c2cncc(N3CCCC3)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
RAF1 P04049 3/20 0.44
BRAF P15056 2/20 0.44
ATM Q13315 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPK14 Q16539 2/20 0.42
HSPB1 P04792 1/20 0.42
LYN P07948 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4420730 0.99 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL5593266 0.96 RAB9A (0.50) RAB9ANPC1RAF1BRAFMAPK14
SCHEMBL14473018 0.89 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4565287 0.86 RAB9A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4410231 0.86 BRAF (0.48) RAB9ANPC1SMN1; SMN2RAF1BRAF
SCHEMBL4417865 0.85 BRAF (0.47) RAB9ANPC1SMN1; SMN2RAF1BRAF
SCHEMBL5592981 0.85 RAF1 (0.54) RAB9ANPC1RAF1BRAFMAPK14
SCHEMBL4551384 0.85 RAF1 (0.52) RAB9ANPC1RAF1BRAFMAPK14
SCHEMBL4410928 0.85 RIPK2 (0.48) RAB9ANPC1SMN1; SMN2RAF1BRAF
SCHEMBL4411709 0.84 RIPK2 (0.47) RAB9ANPC1SMN1; SMN2RAF1BRAF

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 2 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