SCHEMBL8685754

SCHEMBL8685754

CCCC#CN1CC(=O)CC(c2cccc(C#N)c2)=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CLK4 Q9HAZ1 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP1 P29466 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TGFBR1 P36897 1/20 0.34
PGR P06401 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL8300278 0.85 CHRNB4 (0.34) CTSSCTSKCLK4MAOB
SCHEMBL8304845 0.84 KIF11 (0.37) CTSSCTSKMAOBBACE1PGR
SCHEMBL8300862 0.76 PTGS1 (0.33)
SCHEMBL8302889 0.75 KIF11 (0.38) MAOBTSHRBACE1PGR
SCHEMBL8685267 0.75 BTK (0.37) MAOB
SCHEMBL8683013 0.73 ADORA1 (0.39)
SCHEMBL8301456 0.73 KIF11 (0.36) PAX8
SCHEMBL8301250 0.73 KIF11 (0.36) MAOBPGR
SCHEMBL8683096 0.71 PDCD1 (0.46) DRD2DRD3
SCHEMBL8683453 0.70 RAB9A (0.36) CYP2D6NFKB1CASP1

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-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-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