SCHEMBL8845019

SCHEMBL8845019

CC/C=C\CCN1Cc2c(Cl)ccc([N+](=O)[O-])c2NC[C@@H]1C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL8844676 1.00 MEN1 (0.31) MEN1KMT2AHTTHTR2AHTR2C
SCHEMBL8844993 0.90 MEN1 (0.35) MEN1KMT2AHTT
SCHEMBL8844188 0.88 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL8845025 0.86 MEN1 (0.31) MEN1KMT2A
SCHEMBL8844514 0.82 TDP1 (0.31) MEN1KMT2A
SCHEMBL8844202 0.82 TDP1 (0.31) MEN1KMT2A
SCHEMBL8844313 0.82
SCHEMBL8844328 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL7477848 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL7902272 0.80 KDM4E (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605499-B1 PROCESS FOR PREPARING ENANTIOMERICALLY PURE IMIDAZO 4,5,1-jk] 1,4]-BENZODIAZEPIN-2(1H -)-THIONES JANSSEN PHARMACEUTICA NV (BE) 1997-11-12 EP 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
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