SCHEMBL11408692

SCHEMBL11408692

CCCCSc1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
RECQL P46063 1/20 0.45
ALOX15 P16050 2/20 0.44
PDE7A Q13946 2/20 0.43
CA2 P00918 2/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 1/20 0.40
TLR8 Q9NR97 1/20 0.40
LMNA P02545 1/20 0.39
GSTP1 P09211 3/20 0.39
GSTM2 P28161 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11408674 0.91 MAPT (0.50) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL8445197 0.84 TSHR (0.53) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL15155306 0.82 CA2 (0.44) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL8446872 0.82 ALDH1A1 (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL17538418 0.80 MAPT (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL8973221 0.78 PTGS2 (0.49) TDP1ALDH1A1PDE7ACA2HSD17B10
SCHEMBL18814844 0.78 TSHR (0.49) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL8347178 0.78 MAPT (0.41) TSHRTDP1ALDH1A1CYP3A4ALOX15
SCHEMBL10660283 0.77 TLR8 (0.47) TSHRALDH1A1L3MBTL1MAPTTLR8
SCHEMBL7746689 0.77 PDE7A (0.47) TSHRTDP1ALDH1A1PDE7AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239708-A P-Phenylene bis[imino(thiocarbonyl)] diphosphoramidic acid esters as anthelmentic agents AMERICAN CYANAMID COMPANY (US) 1980-12-16 US disclosed
US-4137310-A LARVICIDES AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed