SCHEMBL9859656

SCHEMBL9859656

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 2/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.34

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
SCHEMBL15620862 0.84 MAPK1 (0.47) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29824353 0.81 MAPK1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL161540 0.81 MAPK1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL12600355 0.81 MAPK1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL23801402 0.80 P2RY6 (0.41) TDP1CYP3A4
SCHEMBL7158060 0.78 CYP3A4 (0.60) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29648923 0.76 CYP3A4 (0.58) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29454784 0.76 MAPK1 (0.68) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL418944 0.76 CYP3A4 (0.58) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL29675170 0.76 CYP3A4 (0.63) MAPK1TDP1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1030682-C Method for preparating N-aryl-3-aryl-4.5-dihydro-IH-pyrazole-l-carboxamides ROHM AND HASS CORP (US) 1996-01-17 CN disclosed
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
CN-85101497-A Process for the preparation of N-aryl-3-aryl-4, 5-dihydro-1H-pyrazole-1-carboxamides 1986-07-16 CN 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