SCHEMBL8305565

SCHEMBL8305565

N#Cc1cc(-c2ccc(Cl)cc2)c[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 1.00
KDM4E B2RXH2 7/20 0.71
ALDH1A1 P00352 7/20 0.71
HPGD P15428 4/20 0.71
PIK3CD O00329 1/20 0.67
PIK3CA P42336 1/20 0.67
PIK3CB P42338 1/20 0.67
GAA P10253 4/20 0.51
TDP1 Q9NUW8 1/20 0.48
NOTUM Q6P988 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX12 P18054 1/20 0.45
CHEK1 O14757 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.42
LRRK2 Q5S007 1/20 0.41

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
SCHEMBL10892490 0.83 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11167009 0.83 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11168852 0.83 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10891641 0.83 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL5397726 0.83 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL11165512 0.83 KDM4E (1.00) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10898580 0.81 MCL1 (0.68) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL7281879 0.80 PIK3CD (1.00) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10890189 0.80 MCL1 (0.68) MCL1KDM4EALDH1A1HPGDPIK3CD
SCHEMBL10886834 0.78 MCL1 (0.66) MCL1KDM4EALDH1A1HPGDPIK3CD

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 17 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-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-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
US-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed