SCHEMBL8334573

SCHEMBL8334573

C[S+]([O-])c1nc2c(Cl)cc(F)c([N+](=O)[O-])c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TLR9 Q9NR96 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL8333039 0.81 HTT (0.38) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL9145810 0.81 NPC1 (0.43) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL8310374 0.80 ALDH1A1 (0.39) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL8333788 0.79 SMN1; SMN2 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL8332254 0.78 ALDH1A1 (0.36) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL8334826 0.69 RAB9A (0.35) NPC1MAPTRAB9AHPGDMEN1
SCHEMBL8334870 0.69 RAB9A (0.35) NPC1MAPTRAB9AHPGDMEN1
SCHEMBL8330924 0.68 ALDH1A1 (0.42) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL8331581 0.65 ALDH1A1 (0.39) ALDH1A1NPC1LMNAMAPTHTT
SCHEMBL4246480 0.62 ALDH1A1 (0.48) ALDH1A1NPC1LMNAMAPTHTT

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
US-5888940-A DESICCATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
EP-0862569-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997008171-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed