SCHEMBL4565287

SCHEMBL4565287

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCCCC3)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
FASN P49327 1/20 0.43
NAMPT P43490 3/20 0.43
ROCK2 O75116 1/20 0.43
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
RAF1 P04049 2/20 0.41
HSPB1 P04792 1/20 0.41
LYN P07948 1/20 0.41
MAPK14 Q16539 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4541481 0.96 RAB9A (0.47) RAB9ANPC1FASNNAMPTROCK2
SCHEMBL14473018 0.88 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4420730 0.87 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4409531 0.87 RAF1 (0.42) RAF1BRAF
SCHEMBL5593020 0.86 RAB9A (0.49) RAB9ANPC1FASNNAMPTROCK2
SCHEMBL4412596 0.86 ACKR3 (0.43) RAB9ANPC1RAF1MAPK14MAPT
SCHEMBL4412422 0.86 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4409551 0.86 RAF1 (0.43) RAF1BRAF
SCHEMBL4541476 0.86 RAB9A (0.49) RAB9ANPC1FASNNAMPTROCK2
SCHEMBL4418487 0.85 MAPK14 (0.48) NAMPTRAF1HSPB1MAPK14BRAF

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