SCHEMBL7919716

SCHEMBL7919716

O=C1NCC=NN1c1ccc(C(CF)c2ccc(Cl)cc2)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AR P10275 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL7917746 0.92 SCN8A (0.32) SCN8AKDM4ELMNAMAPTHTT
SCHEMBL7917715 0.92 SCN8A (0.34) SCN8AKDM4ELMNAMAPTHTT
SCHEMBL7919222 0.86 CNR1 (0.33) SCN8AKDM4ELMNAMAPTHTT
SCHEMBL7916983 0.80 CYP3A4 (0.34) SCN8AKDM4ELMNAMAPTHTT
SCHEMBL7922600 0.80 MEN1 (0.32)
SCHEMBL7917047 0.76 CYP3A4 (0.31)
SCHEMBL7917708 0.73 CHEK2 (0.35)
SCHEMBL7919224 0.72 MEN1 (0.33) KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7917733 0.72 MEN1 (0.33) SCN8ALMNA
SCHEMBL7917015 0.71 DRD4 (0.32) LMNANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed