SCHEMBL8304973

SCHEMBL8304973

COc1ccc(C2=NN=CC(=O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
GAA P10253 3/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
PKM P14618 2/20 0.40
APP P05067 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 2/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8302897 0.77 NOTUM (0.47) KMT2AGAAPDCD1CD274KDM4E
SCHEMBL28455375 0.73 KMT2A (0.42) KMT2ATDP1GAAPDCD1CD274
SCHEMBL5566573 0.70 TDP1 (0.43) KMT2ATDP1GAAKDM4EMAPT
SCHEMBL5560822 0.68 AXL (0.61) KMT2ATDP1GAAPDCD1CD274
SCHEMBL14373829 0.68 NOTUM (0.62) KMT2ATDP1GAAPDCD1CD274
SCHEMBL8621001 0.67 KMT2A (0.58) KMT2ATDP1GAAPDCD1CD274
SCHEMBL22908613 0.65 APP (0.71) KMT2ATDP1GAAPDCD1CD274
SCHEMBL197522 0.63 CA1 (0.79) TDP1GAABACE1KDM4EMAPT
SCHEMBL9151672 0.63 CA1 (0.79) TDP1GAABACE1KDM4EMAPT
SCHEMBL6733562 0.63 CA1 (0.79) TDP1GAABACE1KDM4EMAPT

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-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