SCHEMBL5963788

SCHEMBL5963788

O=c1nc(Nc2ccccc2)oc2sccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ ELANE P08246 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CSNK2A1 P68400 2/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4260518 0.78 ELANE (0.61) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL13158929 0.76 RAB9A (1.00) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL6851129 0.74 ELANE (0.50) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL7694055 0.72 RAB9A (0.64) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL7694048 0.71 NPC1 (0.71) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL4258181 0.70 ELANE (0.50) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL6849716 0.68 NPC1 (0.45) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL4259315 0.68 ELANE (0.51) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL4258103 0.68 ELANE (0.51) RAB9ANPC1ELANESMN1; SMN2ALDH1A1
SCHEMBL4264565 0.68 ELANE (0.51) RAB9ANPC1ELANESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006116773-A2 METHODS, COMPOSITIONS, AND COMPOUNDS FOR MODULATION OF MONOACYLGLYCEROL LIPASE, PAIN, AND STRESS-RELATED DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-02 — — WO disclosed
EP-1446125-A1 THIENO-(1,3)-OXAZIN-4-ONES WITH LIPASE INHIBITING ACTIVITY Alizyme Therapeutics Limited (GB) 2004-08-18 — — EP disclosed
WO-2003020282-A1 THIENO-(1,3)-OXAZIN-4-ONES WITH LIPASE INHIBITING ACTIVITY ALIZYME THERAPEUTICS LIMITED (GB) 2003-03-13 — — WO disclosed
Send feedback