SCHEMBL4420730

SCHEMBL4420730

Cc1ccc(NC(=O)c2cncc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAF1 P04049 3/20 0.43
BRAF P15056 2/20 0.43
MAPK14 Q16539 2/20 0.43
POLB P06746 1/20 0.43
HSPB1 P04792 1/20 0.43
LYN P07948 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4412422 0.99 RAB9A (0.51) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5593266 0.95 RAB9A (0.50) RAB9ANPC1RAF1BRAFMAPK14
SCHEMBL14473018 0.88 RAB9A (0.50) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4565287 0.87 RAB9A (0.47) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4417865 0.86 BRAF (0.47) RAB9ANPC1SMN1; SMN2RAF1BRAF
SCHEMBL4410231 0.85 BRAF (0.48) RAB9ANPC1SMN1; SMN2RAF1BRAF
SCHEMBL4411709 0.85 RIPK2 (0.47) RAB9ANPC1SMN1; SMN2RAF1BRAF
SCHEMBL5592981 0.84 RAF1 (0.54) RAB9ANPC1RAF1BRAFMAPK14
SCHEMBL4551384 0.84 RAF1 (0.52) RAB9ANPC1RAF1BRAFMAPK14
SCHEMBL4410928 0.84 RIPK2 (0.48) 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 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