SCHEMBL8683530

SCHEMBL8683530

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PDE4D Q08499 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE7A Q13946 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35

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 0.88 CD274 (0.41) CD274PTGS1
SCHEMBL8684791 0.86 PDE4B (0.40) PDE4BPDCD1CD274PDE4DPDE4A
SCHEMBL8688197 0.84 PDGFRB (0.38) PDE4BPDCD1CD274TUBB4ATUBB
SCHEMBL8300862 0.83 PTGS1 (0.33) PDE4BCD274PDE4DPDE4APDE4C
SCHEMBL8683013 0.80 ADORA1 (0.39) MAPTMEN1KMT2A
SCHEMBL8300273 0.79 PDE5A (0.36) PDE3BPDE3AGRM2PTGS2PTGS1
SCHEMBL8300278 0.77 CHRNB4 (0.34)
SCHEMBL8301250 0.76 KIF11 (0.36) PDCD1CD274GRM2MAPTMEN1
SCHEMBL8683364 0.75 NPC1 (0.32)
SCHEMBL8685754 0.74 CTSS (0.37)

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-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-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