SCHEMBL9181563

SCHEMBL9181563

[O-][S+](CCC=C(F)F)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL29032682 0.73 NPC1 (0.40) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL28111267 0.73 MAPT (0.40) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL28023596 0.72 MAPT (0.43) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7021183 0.72 NPC1 (0.41) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7027010 0.71 PDE10A (0.36) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9186126 0.71 UBE2T (0.36) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7028313 0.71 NOTUM (0.41) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL7021754 0.71 NPC1 (0.47) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL7624296 0.69 DDAH1 (0.60) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14860942 0.68 MAPT (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2

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
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed