SCHEMBL6032690

SCHEMBL6032690

O=c1nc(-c2ccc(F)cc2)oc2ccsc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ USP1 O94782 1/20 0.40
▸ USP19 O94966 1/20 0.40
▸ UCHL3 P15374 1/20 0.40
▸ HSPD1 P10809 2/20 0.40
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ HSPE1 P61604 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ UTRN P46939 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
SCHEMBL6032491 0.84 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4187104 0.77 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL914214 0.76 MAPT (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6032232 0.74 NOTUM (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6031134 0.71 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4395617 0.70 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4161510 0.67 NPC1 (0.69) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9467880 0.66 HDAC6 (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
Methane SCHEMBL9820150 0.66 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13254495 0.64 KDM4E (0.59) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 — — EP claimed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 — — WO claimed
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