SCHEMBL7916983

SCHEMBL7916983

COC(=O)C(c1ccc(Cl)cc1)c1ccc(N2N=CCNC2=O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.34
CNR1 P21554 1/20 0.34
P2RX3 P56373 2/20 0.34
SCN8A Q9UQD0 2/20 0.33
MDM2 Q00987 3/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL7919222 0.84 CNR1 (0.33) CNR1SCN8AMDM2NOTUMMAPT
SCHEMBL7917715 0.82 SCN8A (0.34) CYP3A4CNR1SCN8AMDM2NOTUM
SCHEMBL7910057 0.81 MDM2 (0.36) MDM2
SCHEMBL7917746 0.80 SCN8A (0.32) SCN8AMDM2MAPTSMN1; SMN2NPSR1
SCHEMBL7919716 0.80 SCN8A (0.32) SCN8AMDM2MAPTSMN1; SMN2NPSR1
SCHEMBL7919691 0.74 TMPRSS4 (0.38) CNR1P2RX3HTT
SCHEMBL7917733 0.69 MEN1 (0.33) CNR1SCN8ALMNA
SCHEMBL7919693 0.66 MEN1 (0.34) CYP3A4
SCHEMBL7917510 0.66 MEN1 (0.34) MAPTLMNAHTT
SCHEMBL7917009 0.66 FPR2 (0.35) MAPTSMN1; SMN2KDM4ELMNA

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