SCHEMBL3634835

SCHEMBL3634835

Cc1nccc2nc([CH]CN3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GBA1 P04062 2/20 0.43
HSD11B1 P28845 2/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39

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 0.88 GBA1 (0.45) L3MBTL1GBA1MEN1KMT2A
SCHEMBL3633554 0.82 KDM2B (0.43) L3MBTL1GBA1MEN1KMT2APOLB
SCHEMBL3321769 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1GBA1HSD11B1GAA
SCHEMBL3632511 0.79 KDM2B (0.42) MAPT
SCHEMBL3632360 0.79 FPR2 (0.43) KCNH2
SCHEMBL3627515 0.79 KDM4E (0.37) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL3634837 0.76 ALDH1A1 (0.47) L3MBTL1ALDH1A1GBA1HSD11B1GAA
SCHEMBL3633456 0.74 HRH3 (0.38) ALDH1A1
SCHEMBL3320615 0.71 KMT2A (0.48) ALDH1A1GBA1HSD11B1GAAMEN1
SCHEMBL3632725 0.70 ACHE (0.44)

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