SCHEMBL8304842

SCHEMBL8304842

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 5/20 0.39
MAPT P10636 2/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL8302888 0.89 PGR (0.46) PGRALDH1A1MEN1KMT2APDE4A
SCHEMBL8300275 0.88 TP53 (0.46) PGRALDH1A1MEN1KMT2APDE4A
SCHEMBL8303966 0.87 TP53 (0.43) PGRALDH1A1MEN1KMT2APDE4A
SCHEMBL8300262 0.86 RAB9A (0.53) PGRALDH1A1MEN1KMT2ARAB9A
SCHEMBL8302675 0.85 PGR (0.51) PGRALDH1A1MEN1KMT2APDE4A
SCHEMBL8685752 0.85 PDE4B (0.39) PGRALDH1A1MEN1KMT2APDE4A
SCHEMBL8685293 0.85 PDE4B (0.46) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL8683100 0.84 PDCD1 (0.43) PGRALDH1A1MEN1KMT2APDE4A
SCHEMBL8300270 0.83 PDE4B (0.41) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL8300858 0.82 ALDH1A1 (0.44) PGRALDH1A1MEN1KMT2APDE4A

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-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