SCHEMBL13126328

SCHEMBL13126328

Nc1cc(SCC(=O)Nc2cccc(CF)c2)nc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ HSP90AB1 P08238 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL968558 0.84 LMNA (0.56) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13126785 0.81 BACE1 (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL966947 0.76 BACE1 (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13125786 0.75 MEN1 (0.79) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL1007657 0.75 LMNA (0.56) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL963619 0.75 LMNA (0.53) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12946806 0.74 MEN1 (0.40) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13126277 0.70 KMT2A (0.40) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13126322 0.69 MGLL (0.41) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL13059643 0.69 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2AUSP2

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
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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