SCHEMBL2114516

SCHEMBL2114516

O=C(OCc1cscn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 3/20 0.42
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
MAPT P10636 4/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL4825951 0.83 LMNA (0.61) LMNAMAPTMAOBKMT2AMEN1
SCHEMBL8223256 0.78 HTR2A (0.53) HTR2ABCL9CTNNB1LMNAGAA
SCHEMBL31488165 0.78 HTR2A (0.52) HTR2ABCL9CTNNB1LMNAGAA
SCHEMBL6678960 0.77 MGLL (0.56) BCL9CTNNB1GAAMAPTKMT2A
SCHEMBL7310246 0.77 HTR2A (0.60) HTR2ABCL9CTNNB1GAAMAOB
SCHEMBL5827968 0.77 HTR2A (0.80) HTR2ABCL9CTNNB1GAAMAOB
SCHEMBL13735700 0.77 HTR2A (0.51) HTR2ABCL9CTNNB1LMNAGAA
SCHEMBL7180385 0.75 HTR2A (0.56) HTR2ABCL9CTNNB1LMNAGAA
SCHEMBL272963 0.75 HTR2A (0.52) HTR2ABCL9CTNNB1LMNAGAA
SCHEMBL2406995 0.75 HTR2A (0.52) HTR2ABCL9CTNNB1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025089370-A1 COMPOUNDS AS CSF1R INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-05-01 WO disclosed
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 EP disclosed
CN-102369200-B Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI SA 2015-05-20 CN disclosed
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US disclosed
CN-102459207-B Cyclopenta[c]pyrrole-2-carboxylate derivatives, preparation thereof, and therapeutic use thereof SANOFI SA 2015-03-25 CN disclosed
US-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
CN-102459189-B 5-membered heterocyclic compound cyclopenta[c]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2014-11-05 CN disclosed
US-8865738-B2 5-membered heterocyclic compound cyclopenta[C]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2014-10-21 US disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
CN-102164920-B Alkylthiazole carbamate derivatives, method for the production thereof and use thereof as FAAH enzyme inhibitors SANOFI AVENTIS 2013-12-25 CN disclosed
WO-2008011117-A2 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed