SCHEMBL17824459

SCHEMBL17824459

O=C1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.61
F2 P00734 1/20 0.61
PLG P00747 1/20 0.61
CTSG P08311 1/20 0.61
CMA1 P23946 1/20 0.61
CTRC Q99895 1/20 0.61
GSK3A P49840 2/20 0.57
GSK3B P49841 2/20 0.57
MGLL Q99685 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CASP3 P42574 1/20 0.53
ALDH1A1 P00352 3/20 0.52
RGS4 P49798 1/20 0.52
ALDH2 P05091 1/20 0.52
CHRM1 P11229 1/20 0.52
CES1 P23141 1/20 0.52
ALDH3A1 P30838 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL22289689 0.85 NPC1 (0.60) ELANEF2PLGCTSGCMA1
SCHEMBL13793073 0.82 ELANE (0.82) ELANEF2PLGCTSGCMA1
SCHEMBL11083983 0.76 CASP3 (0.66) ELANEF2PLGCTSGCMA1
SCHEMBL326305 0.76 CASP3 (0.85) ELANEF2PLGCTSGCMA1
SCHEMBL5049894 0.76 ELANE (0.64) ELANEF2PLGCTSGCMA1
SCHEMBL30472950 0.76 CASP3 (0.85) ELANEF2PLGCTSGCMA1
SCHEMBL29250339 0.75 ALDH1A1 (0.45) ELANEF2PLGCTSGCMA1
SCHEMBL13896937 0.74 ELANE (0.61) ELANEF2PLGCTSGCMA1
SCHEMBL3065646 0.74 ELANE (0.61) ELANEF2PLGCTSGCMA1
SCHEMBL8133525 0.74 ELANE (0.61) ELANEF2PLGCTSGCMA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180255813-A1 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2018-09-13 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
EP-3229606-A2 METHODS FOR MODULATING TASTE RECEPTORS Mars, Incorporated (US) 2017-10-18 EP disclosed
WO-2016094702-A2 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2016-06-16 WO disclosed