SCHEMBL9858893

SCHEMBL9858893

O=C=Nc1ccc(OC(F)F)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 2/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
DRD1 P21728 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29873959 0.82 TDP1 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL21239472 0.82 TDP1 (0.41) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11533450 0.81 MAPK1 (0.40) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29873432 0.81 TDP1 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL1879413 0.81 TDP1 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL9859216 0.74 CYP3A4 (0.38) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL545529 0.73 DRD1 (0.48) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL12600355 0.73 MAPK1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL9859656 0.72 MAPK1 (0.47) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL1569276 0.70 DRD1 (0.46) MAPK1TDP1MEN1LMNAKMT2A

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-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed