SCHEMBL8685396

SCHEMBL8685396

CCCC#CN1CC(=O)CC(c2ccccc2C)=N1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.33
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL8683096 0.87 PDCD1 (0.46) PDCD1CD274
SCHEMBL8301456 0.87 KIF11 (0.36) KIF11
SCHEMBL8301250 0.87 KIF11 (0.36) KIF11PDCD1CD274
SCHEMBL8683206 0.80 ALDH1A1 (0.35)
SCHEMBL8683364 0.79 NPC1 (0.32)
SCHEMBL8300278 0.79 CHRNB4 (0.34)
SCHEMBL8685267 0.77 BTK (0.37) PDCD1CD274
SCHEMBL8683453 0.77 RAB9A (0.36)
SCHEMBL8683436 0.76 NPC1 (0.36)
SCHEMBL8304845 0.75 KIF11 (0.37) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 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-5728698-A AGRICULTURAL USE, RICE, WHEAT 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