SCHEMBL8317335

SCHEMBL8317335

[NH]c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.64
▸ MAPT P10636 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ POLB P06746 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ TSHR P16473 2/20 0.60
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9285883 0.79 TDP1 (0.64) TDP1MAPTMEN1KMT2APOLB
SCHEMBL29358067 0.78 ALDH1A1 (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL29409289 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL737722 0.78 MAPT (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL33520 0.78 TDP1 (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL30293804 0.78 TDP1 (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL11496559 0.78 TSHR (0.41) TDP1MAPTMEN1KMT2APOLB
SCHEMBL78083 0.78 ALDH1A1 (1.00) TDP1MAPTMEN1KMT2APOLB
SCHEMBL28621447 0.78 TDP1 (0.62) TDP1MAPTMEN1KMT2APOLB
Fluoride SCHEMBL28506026 0.78 MAPT (0.62) TDP1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 — — EP claimed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 — — WO claimed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 — — EP disclosed
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 — — US disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 — — WO disclosed
US-4314808-A HAIR DYES; POLYASPARTIC ACID MODIFIED BY A DYE RESIDUE-CONTAINING AMINE; ANTISOILANTS L'OREAL (FR) 1982-02-09 — — US disclosed
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