SCHEMBL7480596

SCHEMBL7480596

C[C@H]1CNc2c([N+](=O)[O-])ccc(Cl)c2CN1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PNMT P11086 5/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
LMNA P02545 1/20 0.33
VCAM1 P19320 4/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8844177 0.76 SLC6A2 (0.33) HTR2C
SCHEMBL9539813 0.75 PNMT (0.43) TDP1ALDH1A1PNMTADRA2AADRA2B
SCHEMBL9539807 0.75 PNMT (0.43) TDP1ALDH1A1PNMTADRA2AADRA2B
SCHEMBL27453650 0.73 PNMT (0.41) ALDH1A1PNMTADRA2AADRA2BADRA2C
SCHEMBL8844993 0.71 MEN1 (0.35) TDP1HTTMEN1KMT2A
SCHEMBL8845025 0.70 MEN1 (0.31) MEN1KMT2A
SCHEMBL8844514 0.69 TDP1 (0.31) TDP1MEN1KMT2A
SCHEMBL8844184 0.69 TDP1 (0.31) TDP1ALDH1A1POLB
SCHEMBL8844202 0.69 TDP1 (0.31) TDP1MEN1KMT2A
SCHEMBL8844188 0.69 HTR2A (0.31) TDP1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538297-B9 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2002-10-16 EP disclosed
EP-0538297-B1 ANTIVIRAL TETRAHYDROIMIDAZO 1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA NV (BE) 2001-09-19 EP disclosed
US-6201119-B1 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-13 US disclosed
US-5599982-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-04 US disclosed
US-5543570-A Intermediates for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2-(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1996-08-06 US disclosed
US-5463049-A Process for preparing enantiomerically pure imidazo[4,5,1-JK][1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-31 US disclosed
US-5371079-A Administering to inhibit replication of HIV-1 in human cells JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-06 US disclosed
EP-0605499-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES JANSSEN PHARMACEUTICA N.V. (BE) 1994-07-13 EP disclosed
US-5270464-A Anti-HIV-1 tetrahydroimidazo[1,4]benzodiazepin-2-(thi) ones JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-14 US disclosed
WO-1993006106-A1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO[4,5,1-jk][1,4]-BENZODIAZEPIN-2(1H^_)-THIONES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-01 WO disclosed
EP-0534539-A1 Process for preparing enantiomerically pure imidazo[4,5,1-jk]-[1,4]-benzodiazepin-2(1H)-thiones JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
WO-1992000979-A1 ANTIVIRAL TETRAHYDROIMIDAZO[1,4]BENZODIAZEPIN-2-(THIO)ONES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed