SCHEMBL5731486

SCHEMBL5731486

CC(CC(O)(c1ncnn1Cc1ccccc1)C(C)C)C(O)c1ncnn1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRN P28799 2/20 0.32
SORT1 Q99523 2/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3323347 0.78 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5731482 0.78 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5732994 0.77 RAB9A (0.39) RAB9ANPC1SMN1; SMN2P2RX7ATM
SCHEMBL3319710 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5732991 0.75 RAB9A (0.49) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5807714 0.73 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL3318864 0.73 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL20569205 0.68 HDAC1 (0.45) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL3318705 0.67 HTT (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL5732287 0.67 HTT (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed