SCHEMBL8429357

SCHEMBL8429357

NN(C(=Nc1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
SLC22A3 O75751 1/20 0.43
PLAU P00749 1/20 0.43
NOS1 P29475 5/20 0.42
NOS3 P29474 3/20 0.42
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
SLC6A2 P23975 1/20 0.40
GRIN1 Q05586 1/20 0.40

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
SCHEMBL9804215 0.84 KMT2A (0.47) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL14975485 0.84 KMT2A (0.47) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL3080879 0.78 KMT2A (0.45) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL3080877 0.78 KMT2A (0.45) KMT2AMEN1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL3072896 0.77 KMT2A (0.44) KMT2AMEN1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL3072900 0.77 KMT2A (0.44) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL11045409 0.74 KMT2A (0.48) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL8773393 0.74 KMT2A (0.48) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL24136586 0.73 KMT2A (0.40) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL9804167 0.73 HTR3E (0.41) KMT2AMEN1HTR3EHTR3BHTR3A

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
EP-0749965-B1 Process for the preparation of 1,2,4-triazolium salts and 1,2,4-triazoles BASF AG (DE) 1999-11-24 EP disclosed
US-5840894-A Preparation of 1,2,4-triazolium salts and 1,2,4-triazolines BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
EP-0749965-A1 Process for the preparation of 1,2,4-triazolium salts and 1,2,4-triazoles BASF AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed