SCHEMBL8300862

SCHEMBL8300862

CCCC#CN1CC(=O)CC(c2ccc(Cl)c(F)c2)=N1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
KMO O15229 3/20 0.32
FFAR1 O14842 1/20 0.30
GRM2 Q14416 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
SCHEMBL8302679 0.90 CD274 (0.41) PTGS1CD274
SCHEMBL8300273 0.90 PDE5A (0.36) PTGS1PTGS2GRM2
SCHEMBL8683013 0.83 ADORA1 (0.39)
SCHEMBL8683530 0.83 PDE4B (0.37) PTGS1PTGS2PDE4APDE4BPDE4C
SCHEMBL8304845 0.82 KIF11 (0.37) GRM2
SCHEMBL8300278 0.79 CHRNB4 (0.34)
SCHEMBL8684791 0.77 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DCD274
SCHEMBL8301250 0.77 KIF11 (0.36) CD274GRM2
SCHEMBL8301456 0.77 KIF11 (0.36) GRM2
SCHEMBL8683364 0.77 NPC1 (0.32) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478195-B1 Dihydropyridazinones and pyridazinones as fungicides ROHM & HAAS (US) 1999-05-26 EP disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
CN-1038249-C Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM & HAAS (US) 1998-05-06 CN disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed