SCHEMBL8300858

SCHEMBL8300858

CCC#CCN1N=C(c2ccc(Cl)c(F)c2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PGR P06401 1/20 0.43
PDE4B Q07343 3/20 0.41
PDE4D Q08499 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TP53 P04637 5/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8302675 0.90 PGR (0.51) ALDH1A1MEN1KMT2APGRPDE4B
SCHEMBL8300270 0.90 PDE4B (0.41) ALDH1A1MEN1KMT2APDE4BPDE4D
SCHEMBL8688192 0.87 PDE4B (0.39) ALDH1A1MEN1KMT2APDE4BPDE4D
SCHEMBL8304678 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APGRPDE4B
SCHEMBL8300641 0.84 PDE4B (0.39) ALDH1A1MEN1KMT2APDE4BPDE4D
SCHEMBL8300262 0.83 RAB9A (0.53) ALDH1A1MEN1KMT2APGRTP53
SCHEMBL8683010 0.83 PGR (0.40) ALDH1A1MEN1KMT2APGRPDE4B
SCHEMBL8304842 0.82 PGR (0.46) ALDH1A1MEN1KMT2APGRPDE4B
SCHEMBL8683527 0.82 PDE4B (0.54) ALDH1A1PDE4BPDE4DPDE4APDE4C
SCHEMBL8303966 0.81 TP53 (0.43) ALDH1A1MEN1KMT2APGRPDE4B

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 11 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
CN-1038249-C Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM & HAAS (US) 1998-05-06 CN 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