SCHEMBL9455474

SCHEMBL9455474

N#CC(c1cccnc1)c1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 4/20 0.39
PDE7A Q13946 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7B Q9NP56 1/20 0.39
VCAM1 P19320 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CYP19A1 P11511 2/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9455449 0.80 CYP19A1 (0.41) KMT2AMEN1SMN1; SMN2CYP19A1
SCHEMBL8147067 0.78 MEN1 (0.46) MAPTKMT2AHTTMEN1ALDH1A1
SCHEMBL7840238 0.77 HSD17B10 (0.53) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL10419484 0.76 ALDH1A1 (0.44) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL9455386 0.75 MAPT (0.57) MAPTKMT2AHTTLMNAKDM4E
SCHEMBL5561482 0.71 VCAM1 (0.40) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL10421412 0.70 MEN1 (0.40) MAPTKMT2AMEN1ALDH1A1VCAM1
SCHEMBL11765565 0.69 VCAM1 (0.47) MAPTKMT2AHTTMEN1LMNA
SCHEMBL9455629 0.69 MAPT (0.57) MAPTKMT2AHTTMEN1SMN1; SMN2
SCHEMBL2842596 0.69 CFTR (0.57) SMN1; SMN2KDM4ECYP19A1

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-5196562-A Substituted 1,3,5-triazinetriones, for use against parasitic protozoa BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
US-4933341-A Substituted 1,3,5-triazinetriones, for use against parasitic protozoa BAYER AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed