SCHEMBL6162468

SCHEMBL6162468

N#Cc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
IDO1 P14902 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 8/20 0.56
THRB P10828 1/20 0.56
LMNA P02545 6/20 0.55
HTT P42858 5/20 0.55
GAA P10253 2/20 0.55
ALOX12 P18054 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPC1 O15118 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
GLA P06280 1/20 0.51
CYP19A1 P11511 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50

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
SCHEMBL6301912 0.87 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14633632 0.87 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30542219 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL23322893 0.83 MEN1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5449567 0.83 IDO1 (0.78) ALDH1A1IDO1MEN1KMT2AMAPT
SCHEMBL8983488 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL20379476 0.82 KMT2A (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6297678 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6981800 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6981798 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224165-B1 NOVEL COMPOUNDS NEW PHARMA RES SWEDEN AB (SE) 2005-12-14 EP disclosed
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed
EP-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 WO disclosed