SCHEMBL15097009

SCHEMBL15097009

Cc1cc(/C=C2\SC(=S)NC2=O)cc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
NAT1 P18440 3/20 0.59
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
GSK3B P49841 2/20 0.55
DNM1 Q05193 1/20 0.55
PDE4B Q07343 1/20 0.51
IDH1 O75874 1/20 0.51
CISD1 Q9NZ45 1/20 0.50
IGF1R P08069 1/20 0.50
PTGS2 P35354 1/20 0.50
PIK3CG P48736 3/20 0.49
CA2 P00918 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
SCHEMBL8309014 0.81 CRHBP (1.00) CRHBPCRHR2NAT1MEN1ALDH1A1
SCHEMBL8309015 0.81 CRHBP (1.00) CRHBPCRHR2NAT1MEN1ALDH1A1
SCHEMBL15091291 0.80 CRHBP (0.71) CRHBPCRHR2NAT1NPC1GSK3B
SCHEMBL1250835 0.80 CRHBP (0.71) CRHBPCRHR2NAT1NPC1GSK3B
SCHEMBL1250831 0.80 CRHBP (0.71) CRHBPCRHR2NAT1NPC1GSK3B
SCHEMBL7556254 0.76 GSK3B (0.74) CRHBPCRHR2NAT1MEN1NPC1
SCHEMBL7556250 0.76 GSK3B (0.74) CRHBPCRHR2NAT1MEN1NPC1
SCHEMBL7557609 0.74 NAT1 (1.00) CRHBPCRHR2NAT1MEN1NPC1
SCHEMBL7557614 0.74 NAT1 (1.00) CRHBPCRHR2NAT1MEN1NPC1
SCHEMBL5981261 0.73 GSK3B (0.74) CRHBPCRHR2NAT1MEN1GAA

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
EP-2648046-A1 CHARGE CONTROL AGENT AND TONER USING SAME Hodogaya Chemical Co., Ltd. (JP) 2013-10-09 EP disclosed
US-20130177844-A1 CHARGE CONTROL AGENT AND TONER USING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2013-07-11 US disclosed
US-20130177844-A1 CHARGE CONTROL AGENT AND TONER USING SAME HODOGAYA CHEMICAL CO., LTD. (JP) 2013-07-11 US disclosed