SCHEMBL6032232

SCHEMBL6032232

O=c1nc(-c2cccc(C(F)(F)F)c2)oc2ccsc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ PGR P06401 1/20 0.45
▸ UTRN P46939 1/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ PTPN2 P17706 3/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ PTPN5 P54829 3/20 0.40
▸ HSPD1 P10809 2/20 0.40
▸ HSPE1 P61604 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL916067 0.80 MAPT (0.65) NOTUMCASP3PGRUTRNRAB9A
SCHEMBL6032491 0.80 MAPT (0.59) CASP3RAB9ANPC1PTPN2PTPN5
SCHEMBL9608573 0.79 NOTUM (0.53) NOTUMPGRUTRNRAB9ANPC1
SCHEMBL6032690 0.74 MAPT (0.61) NOTUMUTRNRAB9ANPC1PTPN2
SCHEMBL442096 0.71 TOP2A (0.48) NOTUMPGRUTRNPTPN2PTPN1
SCHEMBL1780464 0.69 PSMB8 (0.63) NOTUMCASP3PGRRAB9ANPC1
SCHEMBL26818750 0.69 PTPN2 (0.63) PGRUTRNRAB9ANPC1PTPN2
SCHEMBL10344443 0.68 ELANE (0.66) NOTUMRAB9ANPC1MAPTALDH1A1
SCHEMBL2244350 0.68 NPC1 (0.65) CASP3UTRNRAB9ANPC1PTPN2
SCHEMBL5228147 0.68 ESR1 (0.60) NOTUMUTRNRAB9APTPN2PTPN1

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 disclosed
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 disclosed
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