SCHEMBL8301456

SCHEMBL8301456

CCCC#CN1CC(=O)CC(c2ccccc2F)=N1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 2/20 0.32
PAX8 Q06710 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRM2 Q14416 1/20 0.31
CRBN Q96SW2 1/20 0.31
ADORA2B P29275 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
SCHEMBL8685396 0.87 KIF11 (0.34) KIF11
SCHEMBL8301250 0.86 KIF11 (0.36) KIF11GRM2CRBN
SCHEMBL8683096 0.84 PDCD1 (0.46) ADORA1ADORA3CRBN
SCHEMBL8683058 0.84 HTR2C (0.32)
SCHEMBL8300273 0.80 PDE5A (0.36) GRM2
SCHEMBL8683206 0.79 ALDH1A1 (0.35)
SCHEMBL8683364 0.78 NPC1 (0.32)
SCHEMBL8300862 0.77 PTGS1 (0.33) GRM2
SCHEMBL8685267 0.76 BTK (0.37) GRM2
SCHEMBL8683453 0.76 RAB9A (0.36)

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 10 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
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-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-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