SCHEMBL8302889

SCHEMBL8302889

CCC#CN1CC(=O)CC(c2cccc(Cl)c2)=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PGR P06401 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
BCHE P06276 1/20 0.33
CYP2C19 P33261 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL8304845 0.91 KIF11 (0.37) KIF11KMT2AKDM4EMAPTGAA
SCHEMBL8300278 0.78 CHRNB4 (0.34) CHRNB4CHRNA3MAOBALDH1A1ORAI1
SCHEMBL8300263 0.76 PDCD1 (0.38) KMT2AKDM4EMAPTGAAMEN1
SCHEMBL8302679 0.75 CD274 (0.41) CA1CA2PGR
SCHEMBL8300273 0.73 PDE5A (0.36) MAPTLMNAGRM2
SCHEMBL8300862 0.73 PTGS1 (0.33) GRM2
SCHEMBL8683530 0.71 PDE4B (0.37) KMT2AKDM4EMAPTMEN1GRM2
SCHEMBL8304842 0.70 PGR (0.46) KMT2AMAPTCHRNB4CHRNA3PGR
SCHEMBL9073558 0.70 PDCD1 (0.38) KMT2AKDM4EMAPTPGRMEN1
SCHEMBL8686844 0.69 PDCD1 (0.39) KMT2AKDM4EMAPTMEN1LMNA

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-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides 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