SCHEMBL8844331

SCHEMBL8844331

Cc1ccc(S(=O)(=O)NCC(C)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 1.00
ALDH1A1 P00352 7/20 0.68
TSHR P16473 1/20 0.68
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CYP19A1 P11511 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL8844329 1.00 GBA1 (1.00) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL27832629 0.86 GBA1 (0.76) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL7862567 0.85 GBA1 (0.74) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL29543465 0.84 GBA1 (0.72) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL11649104 0.84 GBA1 (0.72) GBA1ALDH1A1KMT2ACA2CA1
SCHEMBL3975219 0.82 GBA1 (0.69) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL6323468 0.82 GBA1 (0.70) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL3716602 0.82 GBA1 (0.70) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4463262 0.82 GBA1 (0.70) GBA1ALDH1A1TSHRMEN1KMT2A
SCHEMBL30800478 0.82 CA2 (0.75) GBA1ALDH1A1TSHRMEN1KMT2A

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 7 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-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
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