SCHEMBL5482540

SCHEMBL5482540

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
GPR55 Q9Y2T6 1/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
BRAF P15056 2/20 0.44
TEK Q02763 1/20 0.44
MAPK14 Q16539 1/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
GCK P35557 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
SCHEMBL4417839 0.93 MAPK14 (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4410077 0.90 MAPK14 (0.43) SMN1; SMN2MAPTBRAFTEKMAPK14
SCHEMBL4565711 0.89 TEK (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4729472 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL14534684 0.88 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4414872 0.88 BRAF (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL4412446 0.87 KDR (0.41) BRAFTEKALOX15HSD17B10
SCHEMBL4410752 0.85 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5483879 0.82 TEK (0.46) BRAFTEK
SCHEMBL4413435 0.81 MAPK14 (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed