SCHEMBL21240967

SCHEMBL21240967

COCc1cc(C(F)(F)F)ncc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 2/20 0.34
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
POLQ O75417 1/20 0.32
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
KDM4E B2RXH2 3/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL25163584 0.80 NOS3 (0.40) LMNAPPARGPPARDPPARATRPV4
SCHEMBL20708127 0.77 PPARG (0.46) LMNAPPARGPPARDPPARATRPV4
SCHEMBL23507232 0.77 LOXL2 (0.36) PPARGPPARDPPARATRPV4LOXL2
SCHEMBL14183073 0.73 NOS3 (0.44) LMNAPPARDTRPV4LOXL2POLQ
SCHEMBL14183066 0.73 PDE10A (0.40) TRPV4POLQCA2CHKAAAK1
SCHEMBL20465813 0.73 NOS3 (0.52) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL13696443 0.70 NPSR1 (0.39) PPARGPPARDPPARATRPA1CYP1A2
SCHEMBL16647331 0.70 LMNA (0.42) LMNARXRAGRIN1GRIN2BTRPA1
SCHEMBL26375194 0.70 TRPV4 (0.39) LMNATRPA1TRPV4LOXL2POLQ
SCHEMBL16139569 0.70 TRPV4 (0.39) LMNACYP1A2TRPV4LOXL2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed