SCHEMBL8301452

SCHEMBL8301452

CCC#CCN1N=C(c2ccccc2F)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.36
PDE4B Q07343 2/20 0.35
PDE3A Q14432 2/20 0.35
PDE5A O76074 1/20 0.35
TP53 P04637 5/20 0.35
KIF11 P52732 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PGR P06401 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
POLB P06746 1/20 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
SCHEMBL8685391 0.86 TP53 (0.38) LMNAPDE4BPDE3APDE5ATP53
SCHEMBL8301248 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL8683056 0.83 LMNA (0.37) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL8683092 0.83 POLB (0.45) MEN1KMT2ALMNAPDE4BPDE3A
SCHEMBL8300270 0.79 PDE4B (0.41) ALDH1A1MEN1KMT2APDE4BPDE3A
SCHEMBL8303966 0.78 TP53 (0.43) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL8300858 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL8685264 0.75 TP53 (0.48) ALDH1A1MEN1KMT2ALMNAPDE4B
SCHEMBL8300262 0.74 RAB9A (0.53) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL8304842 0.74 PGR (0.46) ALDH1A1MEN1KMT2ALMNAPDE4B

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-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-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