SCHEMBL8303629

SCHEMBL8303629

COc1cc(-c2nc(-c3c(F)cccc3Cl)nn2C)ccc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PSEN1 P49768 10/20 0.40
PSEN2 P49810 10/20 0.40
APH1B Q8WW43 10/20 0.40
NCSTN Q92542 10/20 0.40
APH1A Q96BI3 10/20 0.40
PSENEN Q9NZ42 10/20 0.40
SCN9A Q15858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8303920 0.93 HPGD (0.47) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8304023 0.90 KMT2A (0.44) HPGDKMT2APSEN1PSEN2APH1B
SCHEMBL8304863 0.89 HPGD (0.48) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8942557 0.89 KMT2A (0.48) HPGDKMT2ASCN9ARAB9AMAPT
SCHEMBL8303732 0.87 KMT2A (0.46) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8303815 0.87 KMT2A (0.48) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8304100 0.84 MRGPRX4 (0.42) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8942727 0.83 MRGPRX4 (0.47) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL8304314 0.82 KMT2A (0.48) HPGDKMT2ASCN9AMAPTKDM4E
SCHEMBL8303158 0.82 KMT2A (0.48) HPGDKMT2ASCN9AMAPTKDM4E

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