SCHEMBL9823472

SCHEMBL9823472

CC(C#N)(c1ccc(F)cc1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 8/20 0.42
THRA P10827 4/20 0.42
P2RX7 Q99572 10/20 0.39
ABCB11 O95342 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6479147 0.92 MEN1 (0.54) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL10421566 0.90 MEN1 (0.38) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL5560395 0.87 MEN1 (0.43) MEN1NR1I2KMT2ATHRBP2RX7
SCHEMBL10671332 0.85 THRB (0.44) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL10419884 0.83 MEN1 (0.47) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL10419922 0.82 THRA (0.46) THRBTHRAKDM4ENPC1S1PR4
SCHEMBL10421420 0.80 KMT2A (0.57) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL10421475 0.80 ATM (0.44) MEN1KMT2ATHRBTHRAKDM4E
SCHEMBL6479424 0.79 MEN1 (0.59) MEN1NR1I2KMT2ATHRBTHRA
SCHEMBL7545405 0.78 MEN1 (0.55) 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 9 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
US-4952570-A ANTIPROTOZOA AGENTS; COCCIDIOSIS JANSSEN PHARMACEUTICA N.V. (BE) 1990-08-28 US disclosed
EP-0170316-B1 ALPHA-ARYL-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL)BENZENEACETONITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1990-05-30 EP disclosed
US-4912106-A 5,6-Dihydro-2-(substituted phenyl)-1,2,4-triazine-3,5,(2H,4H)-diones and their use as protozoa combating agents JANSSEN PHARMACEUTICA N. V. FRAME-319 (BE) 1990-03-27 US disclosed
US-4778887-A ANTIPROTOZOA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1988-10-18 US disclosed
US-4767760-A Anti-protozoal 5,6-dihydro-2-(substituted phenyl)-1,2,4-triazine-3,5(2H,4H)-dione derivatives, compositions, and method of use therefor JANSSEN PHARMACUETICA N.V. (BE) 1988-08-30 US 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
US-4631278-A Anti-protozoal α-aryl-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-benzeneacetonitrile derivatives, pharmaceutical compositions, and method of use therefor JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-23 US disclosed
EP-0170316-A2 alpha-Aryl-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitriles JANSSEN PHARMACEUTICA N.V. (BE) 1986-02-05 EP disclosed