SCHEMBL8464902

SCHEMBL8464902

CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
MAOB P27338 1/20 0.54
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
RAB9A P51151 3/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8464899 1.00 MAPT (0.61) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL23978384 0.91 MAPT (0.63) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL8038703 0.88 MAPT (0.71) MAPTNPSR1MAOBALDH1A1KMT2A
SCHEMBL4608086 0.87 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4608089 0.87 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL4608087 0.87 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL9475614 0.87 MAPT (0.66) MAPTNPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL7250786 0.82 MAPT (0.64) MAPTNPSR1MAOBALDH1A1KMT2A
SCHEMBL12111897 0.82 MAOB (0.59) MAPTNPSR1MAOBALDH1A1KMT2A
SCHEMBL10886745 0.80 MAPT (0.54) MAPTNPSR1ALDH1A1KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed
US-20230241078-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2023-08-03 US disclosed
US-20200246352-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2020-08-06 US disclosed
CN-111343977-A Vanadyl and vanadate bases for reducing stress-induced metabolic disorders CFM医药控股有限公司 2020-06-26 CN disclosed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US disclosed
US-5846998-A Use of phosphotyrosine phosphatase inhibitors or phosphotyrosine kinase activators for controlling cellular proliferation BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-08 US disclosed
US-5693627-A TREATING DISEASES SUCH AS LEUKEMIAS AND LYMPHOMAS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-12-02 US disclosed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed
EP-0735880-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed
WO-1995020390-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION BRISTOL-MYERS SQUIBB COMPANY (US) 1995-08-03 WO disclosed