SCHEMBL272963

SCHEMBL272963

O=C(OCc1cncs1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
MAPT P10636 4/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Hydrochloric Acid SCHEMBL271240 0.99 HTR2A (0.51) HTR2AMAPTPARP15PARP10TDP1
Hexane SCHEMBL6092528 0.92 HTR2A (0.48) HTR2AMAPTPARP15PARP10TDP1
Hydrochlorthiazide SCHEMBL8989377 0.90 HTR2A (0.44) HTR2AMAPTPARP15PARP10TDP1
SCHEMBL14308527 0.82 PARP15 (0.52) MAPTPARP15PARP10TDP1RAB9A
SCHEMBL6385223 0.80 HTR2A (0.54) HTR2AMAPTBCL9CTNNB1RAB9A
SCHEMBL18034381 0.79 MAPT (0.49) MAPTPARP15PARP10TDP1RAB9A
SCHEMBL7092278 0.79 HTR2A (0.53) HTR2AMAPTBCL9CTNNB1LMNA
SCHEMBL7174046 0.78 HTR2A (0.53) HTR2AMAPTBCL9CTNNB1LMNA
SCHEMBL17030382 0.78 BCL9 (0.53) MAPTPARP15PARP10TDP1BCL9
SCHEMBL7096139 0.78 HTR2A (0.52) HTR2AMAPTBCL9CTNNB1GAA

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 244 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116272259-A Desulfurization and decarbonization solvent suitable for low-pressure gas and application thereof 四川精事达科技有限公司 2023-06-23 CN claimed
CN-115541762-A Method for detecting ritonavir starting material 02 related substances 武汉海特生物创新医药研究有限公司 2022-12-30 CN claimed
CN-112500367-A Refining method of ritonavir intermediate 盐城迪赛诺制药有限公司 2021-03-16 CN claimed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
US-5892052-A Process for making retroviral protease inhibiting compounds ABBOTT LABORTORIES (US) 1999-04-06 US claimed
US-5659045-A AIDS THERAPY ABBOTT LABORATORIES (US) 1997-08-19 US claimed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 US claimed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP claimed
CN-115541762-B Method for detecting related substances of ritonavir starting material 02 武汉海特生物创新医药研究有限公司 2024-08-09 CN disclosed
CN-116272259-B Desulfurization and decarbonization solvent suitable for low-pressure gas and application thereof 四川精事达科技有限公司 2024-02-13 CN disclosed
CN-116272259-A Desulfurization and decarbonization solvent suitable for low-pressure gas and application thereof 四川精事达科技有限公司 2023-06-23 CN disclosed
CN-115541762-A Method for detecting ritonavir starting material 02 related substances 武汉海特生物创新医药研究有限公司 2022-12-30 CN disclosed
CN-114709505-A Method for directly regenerating waste lithium ion battery anode material into flexible current collector-free electrode 中南大学 2022-07-05 CN disclosed
WO-1995009614-A1 PHARMACEUTICAL COMPOSITION ABBOTT LABORATORIES (US) 1995-04-13 WO disclosed
WO-1995007696-A1 PHARMACEUTICAL COMPOSITION OF HIV-PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-23 WO disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed