SCHEMBL8300622

SCHEMBL8300622

CC#CCN1N=C(c2ccc(Cl)cc2)C(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.40
MAOB P27338 1/20 0.39
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL11568698 0.76 MAOB (0.40) PGRMAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL20142921 0.72 PDE4B (0.40) ALDH1A1KDM4ESMN1; SMN2PDE4APDE4B
SCHEMBL25095015 0.71 PDE4B (0.37) MAOBALDH1A1KDM4EPDE4APDE4B
SCHEMBL16157211 0.70 PDE4A (0.65) PGRMAOBALDH1A1KDM4ESMN1; SMN2
SCHEMBL20159430 0.69 PDE4B (0.38) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL20159108 0.69 PDE4B (0.38) MAOBALDH1A1KDM4EPDE4APDE4B
SCHEMBL11396711 0.69 PDE4B (0.39) MAOBALDH1A1PDE4APDE4BPDE4C
SCHEMBL20138985 0.68 HRH3 (0.37) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL20142956 0.68 HRH3 (0.37) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL20138859 0.68 HRH3 (0.37) ALDH1A1KDM4EPDE4APDE4BPDE4C

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-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides 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-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