SCHEMBL9455477

SCHEMBL9455477

N#CC(Cl)(c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
VCAM1 P19320 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PDE7A Q13946 2/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7B Q9NP56 1/20 0.38
HPGD P15428 2/20 0.37
CYP19A1 P11511 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 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
SCHEMBL27889870 0.80 VCAM1 (0.46) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9455391 0.78 PDE7A (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5560368 0.76 CYP19A1 (0.63) MAPTSMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL13865449 0.75 VCAM1 (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22283898 0.71 HSD17B10 (0.53) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL9455634 0.71 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2815627 0.70 HSD17B10 (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11867327 0.70 HSD17B10 (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10421572 0.70 VCAM1 (0.48) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10421414 0.69 ALDH1A1 (0.44) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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-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
EP-0364765-A2 Substituted 1,3,5-triazinetriones, process for their preparation, and their use against parasitical protozoa BAYER AG (DE) 1990-04-25 EP disclosed