SCHEMBL4747467

SCHEMBL4747467

C=CCOc1ccc(SC(C)(C)C(=O)NC2CCCCC2)cc1.CC(C)(Sc1ccc(OCCCO)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
USP1 O94782 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3135154 0.93 NPC1 (0.61) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3153073 0.92 MEN1 (0.50) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3139824 0.80 RAB9A (0.57) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3139387 0.78 KMT2A (0.47) MEN1KMT2AALDH1A1PPARGPPARD
SCHEMBL3144225 0.77 SSTR4 (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3149646 0.77 MMP9 (0.42) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL13313677 0.77 PPARG (0.43) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL4689951 0.77 RAB9A (0.53) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3153051 0.76 SMN1; SMN2 (0.52) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL4742304 0.75 POLB (0.48) NPC1RAB9AMEN1KMT2APOLB

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-1768954-A4 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-05-28 EP disclosed
EP-1768954-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-04 EP disclosed
WO-2006002361-A2 2-METHYLPROPANAMIDES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO disclosed