SCHEMBL9181536

SCHEMBL9181536

O=C(OCCF)c1ccc2oc(SCCC=C(F)F)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
MBOAT4 Q96T53 1/20 0.39
TP53 P04637 1/20 0.37
DDAH1 O94760 1/20 0.37
ADRA2C P18825 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 2/20 0.35
PRTN3 P24158 1/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
CSNK2A2 P19784 1/20 0.35

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
SCHEMBL9185826 0.94 MAPT (0.41) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL9263551 0.86 MAPT (0.54) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL9184152 0.84 RAB9A (0.54) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL7623042 0.78 MAPT (0.50) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL9183583 0.76 TMEM97 (0.55) MAPTNPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL9186890 0.76 DDAH1 (0.45) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL7631677 0.76 RAB9A (0.42) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9259620 0.75 ADORA3 (0.47) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9187035 0.75 HPGD (0.46) MAPTRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL9261566 0.74 APP (0.47) MAPTRAB9ADDAH1ADRA2CL3MBTL1

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