SCHEMBL20816059

SCHEMBL20816059

O=C1NC(=S)S/C1=C/c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 6/20 1.00
MYC P01106 3/20 1.00
MAX P61244 3/20 1.00
PIM1 P11309 1/20 0.75
PIM2 Q9P1W9 1/20 0.75
DNM1 Q05193 1/20 0.73
CISD1 Q9NZ45 3/20 0.71
CA2 P00918 1/20 0.71
EPHX1 P07099 1/20 0.71
MAOA P21397 1/20 0.67
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
CSNK2A2 P19784 1/20 0.66
CLK1 P49759 1/20 0.66
CSNK2B P67870 1/20 0.66
CSNK2A1 P68400 1/20 0.66
DYRK1A Q13627 1/20 0.66
DYRK1B Q9Y463 1/20 0.66

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
SCHEMBL1249067 1.00 NAT1 (1.00) NAT1MYCMAXPIM1PIM2
SCHEMBL1249069 1.00 NAT1 (1.00) NAT1MYCMAXPIM1PIM2
SCHEMBL261187 0.86 PIM1 (1.00) NAT1MYCMAXPIM1PIM2
SCHEMBL261188 0.86 PIM1 (1.00) NAT1MYCMAXPIM1PIM2
SCHEMBL2544039 0.86 PIM1 (1.00) NAT1MYCMAXPIM1PIM2
SCHEMBL1125091 0.85 NAT1 (0.73) NAT1MYCMAXCISD1CA2
SCHEMBL1125089 0.85 NAT1 (0.73) NAT1MYCMAXCISD1CA2
SCHEMBL12961168 0.85 NAT1 (0.73) NAT1MYCMAXCISD1CA2
SCHEMBL4054980 0.84 MMP3 (0.78) NAT1MYCMAXCISD1MAOA
SCHEMBL4054985 0.84 MMP3 (0.78) NAT1MYCMAXCISD1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085404-A1 METHODS OF IDENTIFYING AND TREATING IMMUNE CHECKPOINT INHIBITOR-RESPONSIVE NEOPLASMS AND CELLS, TRANSGENIC ANIMALS AND KITS FOR USE THEREIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 US disclosed