SCHEMBL8299568

SCHEMBL8299568

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.41
LIPE Q05469 3/20 0.40
SCN9A Q15858 8/20 0.39
IDO1 P14902 1/20 0.39
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL8300281 0.87 KMT2A (0.47) THRBMAPK1KMT2ALIPESCN9A
SCHEMBL8304314 0.82 KMT2A (0.48) THRBMAPK1KMT2ALIPESCN9A
SCHEMBL8303158 0.82 KMT2A (0.48) THRBMAPK1KMT2ALIPESCN9A
SCHEMBL8300716 0.82 KMT2A (0.45) THRBMAPK1KMT2ASCN9AIDO1
SCHEMBL8303712 0.81 PDE2A (0.38) MAPK1SCN9ALMNAHSD11B1
SCHEMBL8304023 0.80 KMT2A (0.44) KMT2ALMNA
SCHEMBL8300520 0.79 KMT2A (0.47) THRBMAPK1KMT2ALIPESCN9A
SCHEMBL8298899 0.79 KMT2A (0.47) THRBMAPK1KMT2ALIPESCN9A
SCHEMBL8942500 0.78 MRGPRX4 (0.41) KMT2ALIPESCN9A
SCHEMBL8301628 0.78 MRGPRX4 (0.48) KMT2ALMNAHSD11B1

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
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed