SCHEMBL6302147

SCHEMBL6302147

O=C(O)C1CCC(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
MAPT P10636 8/20 0.52
LMNA P02545 7/20 0.52
HTT P42858 6/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
VCP P55072 1/20 0.51
GLA P06280 1/20 0.50
CYP19A1 P11511 1/20 0.50
ALOX12 P18054 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL6296162 0.88 NAMPT (0.57) NAMPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3334590 0.77 MGLL (0.52) NAMPTALDH1A1SMN1; SMN2HTTVCP
SCHEMBL10639382 0.75 VCP (0.50) ALDH1A1SMN1; SMN2VCPGAATDP1
SCHEMBL4798640 0.75 VCP (0.50) ALDH1A1SMN1; SMN2VCPGAATDP1
Ammonia Solution, Strong SCHEMBL4804478 0.74 VCP (0.49) ALDH1A1SMN1; SMN2VCPGAATDP1
SCHEMBL6302405 0.74 EPHX1 (0.73) NAMPTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6301912 0.72 ALDH1A1 (0.79) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14633632 0.72 ALDH1A1 (0.79) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5450458 0.72 ALDH1A1 (0.74) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14534739 0.72 ALDH1A1 (0.54) NAMPTMEN1KMT2AALDH1A1SMN1; SMN2

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-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed