SCHEMBL9666013

SCHEMBL9666013

CC(C)(C)C(Cl)=NNc1c(Cl)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HIF1A Q16665 1/20 0.48
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
HRAS P01112 2/20 0.46
MAPK1 P28482 6/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9666496 0.92 MAPK1 (0.52) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL8529740 0.84 GAA (0.36) ALDH1A1CYP3A4MAPK1KDM4EGAA
SCHEMBL9952880 0.77 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL11582853 0.74 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL12377332 0.74 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL11861148 0.74 MAPT (0.39) ALDH1A1TDP1CYP3A4HPGDMAPK1
SCHEMBL11861153 0.74 MAPT (0.39) ALDH1A1TDP1CYP3A4HPGDMAPK1
SCHEMBL11865787 0.73 SLC9A1 (0.41) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL11865783 0.73 SLC9A1 (0.41) ALDH1A1TDP1CYP3A4TSHRHPGD
SCHEMBL7710478 0.72 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0285893-B1 PHENYLTRIAZOLE DERIVATIVE AND INSECTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-03-18 EP disclosed
US-4925864-A Phenyltriazole derivative and insecticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-05-15 US disclosed
EP-0285893-A2 Phenyltriazole derivative and insecticide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-10-12 EP disclosed