SCHEMBL9859451

SCHEMBL9859451

CCOC(=O)c1ccc(N=C=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
TSHR P16473 3/20 0.45
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.43
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
EGFR P00533 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9859488 0.87 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9420607 0.85 TSHR (0.49) CA12CA1CA2CA7CA9
SCHEMBL25838143 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9859196 0.84 MAPK1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL24890918 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL9571684 0.82 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL10644838 0.81 CYP4F2 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7222675 0.78 TSHR (0.53) CA12CA1CA2CA7CA9
SCHEMBL367075 0.78 TSHR (0.57) CA12CA1CA2CA7CA9
SCHEMBL11695717 0.76 TSHR (0.52) CA12CA1CA2CA7CA9

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