SCHEMBL8685752

SCHEMBL8685752

CCC#CCN1N=C(c2cccc(C#N)c2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PGR P06401 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 3/20 0.37
BACE1 P56817 2/20 0.37
MAPT P10636 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TGFBR1 P36897 1/20 0.35
POLB P06746 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GABRG2 P18507 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
SCHEMBL8300275 0.85 TP53 (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8303966 0.84 TP53 (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8685293 0.82 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8683100 0.81 PDCD1 (0.43) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8300270 0.78 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8685337 0.76 ALDH1A1 (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8300262 0.76 RAB9A (0.53) PGRLMNAMEN1ALDH1A1KMT2A
SCHEMBL8300858 0.75 ALDH1A1 (0.44) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8685264 0.74 TP53 (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL8685391 0.72 TP53 (0.38) PDE4BPDE4APDE4CPDE4DPDE3B

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-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-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