SCHEMBL688071

SCHEMBL688071

CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KMT2A Q03164 1/20 0.70
AKR1B1 P15121 1/20 0.61
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
MAPT P10636 4/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
GPR35 Q9HC97 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL688777 0.82 GPR35 (0.51) ALDH1A1KMT2AAKR1B1RAB9ASMN1; SMN2
SCHEMBL11607651 0.81 ALDH1A1 (0.71) ALDH1A1KMT2ASMN1; SMN2MAPTPKM
SCHEMBL689127 0.81 GPR35 (0.50) ALDH1A1KMT2AAKR1B1RAB9ASMN1; SMN2
SCHEMBL4360014 0.80 PKM (0.57) ALDH1A1KMT2ARAB9ASMN1; SMN2MITF
SCHEMBL4360020 0.80 PKM (0.57) ALDH1A1KMT2ARAB9ASMN1; SMN2MITF
SCHEMBL11445926 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPTATM
SCHEMBL30629527 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPTATM
SCHEMBL688882 0.80 MAPT (0.57) ALDH1A1KMT2ASMN1; SMN2MAPTGPR35
SCHEMBL689300 0.80 GPR35 (0.49) ALDH1A1KMT2AAKR1B1RAB9ASMN1; SMN2
SCHEMBL30311924 0.80 GPR35 (0.49) ALDH1A1KMT2AAKR1B1RAB9ASMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US claimed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-4195025-A 9-Amino-dibenzopyrans ELI LILLY AND COMPANY (US) 1980-03-25 US disclosed
US-4191840-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-04 US disclosed
EP-0003883-A1 Amino-dibenzopyrans, their preparation, formulations containing them and their use as pharmaceuticals ELI LILLY AND COMPANY (US) 1979-09-05 EP disclosed
US-4160100-A OXAMIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1979-07-03 US disclosed
US-4154961-A Oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-05-15 US disclosed
US-4152450-A 9-Amino-dibenzopyrans ELI LILLY AND COMPANY (US) 1979-05-01 US disclosed
US-4069343-A OXAMIC ACID DERIVATIVES FOR THE PREVENTION OF IMMEDIATE TYPE HYPERSENSITIVITY REACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-01-17 US disclosed
US-4054666-A Compositions and methods of treating immediate hypersensitivity reactions with thiazolyl oxamic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054661-A Pyridyl oxamic acid derivatives and use in the prevention of allergic reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4054657-A Pyrimidinyl oxamic acids and esters, and compositions and methods for the suppression of allergic manifestations AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 US disclosed
US-4036837-A 2 Alkoxyoxamoyl-pyrazines AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-3966965-A Oxamic acid derivatives for the prevention of immediate type hypersensitivity reactions AMERICAN HOME PRODUCTS CORPORATION (US) 1976-06-29 US disclosed