SCHEMBL5732991

SCHEMBL5732991

CC(O)c1ncnn1Cc1ccccc1.CC(O)c1ncnn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC9A1 P19634 1/20 0.39
GRM2 Q14416 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 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
SCHEMBL3319710 1.00 RAB9A (0.49) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL20569205 0.91 HDAC1 (0.45) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL3323347 0.88 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5731482 0.88 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5731641 0.86 HTT (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3320689 0.86 HTT (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3318864 0.82 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5807714 0.82 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5732994 0.76 RAB9A (0.39) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1
SCHEMBL5731486 0.75 RAB9A (0.36) RAB9ANPC1SMN1; SMN2P2RX7ALDH1A1

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