SCHEMBL3633554

SCHEMBL3633554

Cc1nccc2nc([CH]CN3CCN(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.43
SCN9A Q15858 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP21A2 P08686 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP7A1 P22680 1/20 0.40
GBA1 P04062 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SLC40A1 Q9NP59 1/20 0.35
CYP11B2 P19099 1/20 0.35
ERBB2 P04626 2/20 0.35
PTK6 Q13882 2/20 0.35
FGFR4 P22455 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3633470 0.90 GBA1 (0.45) KDM2BSCN9AGBA1L3MBTL1KMT2A
SCHEMBL3632511 0.83 KDM2B (0.42) KDM2BTDP1
SCHEMBL3326619 0.82 PIK3CA (0.43) KDM2BSCN9AL3MBTL1ERBB2PTK6
SCHEMBL3634835 0.82 L3MBTL1 (0.46) GBA1L3MBTL1KMT2AMEN1POLB
SCHEMBL3633557 0.79 MEN1 (0.43) KDM2BSCN9ACYP11B1CYP17A1CYP3A4
SCHEMBL3627515 0.76 KDM4E (0.37) KMT2AMEN1
SCHEMBL3322017 0.71 MCHR1 (0.46) GBA1L3MBTL1KMT2AMEN1
SCHEMBL3633456 0.70 HRH3 (0.38)
SCHEMBL3632360 0.69 FPR2 (0.43) SCN9A
SCHEMBL3633473 0.68 MEN1 (0.48) GBA1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO claimed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed