SCHEMBL9823286

SCHEMBL9823286

N#CCc1ccc(Cl)cc1.O=c1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
NR1I2 O75469 1/20 0.58
KMT2A Q03164 1/20 0.58
THRB P10828 7/20 0.41
THRA P10827 5/20 0.41
P2RX7 Q99572 10/20 0.40
ABCB11 O95342 1/20 0.37

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
SCHEMBL30207653 0.86 MEN1 (0.45) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL7919792 0.81 MEN1 (0.56) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL10584307 0.79 KMT2A (0.52) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL7829095 0.78 MEN1 (0.58) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL7909905 0.77 KMT2A (0.58) MEN1NR1I2KMT2ATHRBTHRA
Diclazuril SCHEMBL126138 0.74 MEN1 (1.00) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL6493238 0.72 KMT2A (0.78) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL8603426 0.72 KMT2A (0.54) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL5566893 0.71 MEN1 (0.56) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL10420205 0.71 MEN1 (0.82) MEN1NR1I2KMT2ATHRBTHRA

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
EP-0232932-B1 5,6-DIHYDRO-2-(SUBSTITUTED PHENYL)-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-02 EP disclosed
EP-0232932-A1 5,6-Dihydro-2-(substituted phenyl)-1,2,4-triazine-3,5(2H,4H)-diones JANSSEN PHARMACEUTICA N.V. (BE) 1987-08-19 EP disclosed