SCHEMBL2637553

SCHEMBL2637553

Cc1nc([N+]2([C@@H]3CCNC3)CCC[C@@H]2C)ccc1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.38
HTR1F P30939 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CA P42336 1/20 0.34
BRD4 O60885 1/20 0.33
KIT P10721 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL2637383 0.91 JAK1 (0.37) MEN1ALDH1A1GAAKMT2AKIT
SCHEMBL2637634 0.75 CCR8 (0.36) KMT2A
SCHEMBL2633879 0.74
SCHEMBL2633782 0.74
SCHEMBL2633810 0.74 SLC6A2 (0.31)
SCHEMBL2637208 0.73 HPGD (0.37) MEN1ALDH1A1GAAKMT2A
SCHEMBL2634061 0.67
SCHEMBL3658188 0.67 BCL9 (0.41) ALDH1A1
SCHEMBL3651913 0.67 BCL9 (0.41) ALDH1A1
SCHEMBL3653649 0.67 BCL9 (0.41) ALDH1A1

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-2569294-A1 SUBSTITUTED N-HETEROARYL BIPYRROLIDINE CARBOXAMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP claimed
WO-2011143162-A1 SUBSTITUTED N-HETEROARYL BIPYRROLIDINE CARBOXAMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO claimed
EP-2569294-A1 SUBSTITUTED N-HETEROARYL BIPYRROLIDINE CARBOXAMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143162-A1 SUBSTITUTED N-HETEROARYL BIPYRROLIDINE CARBOXAMIDES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed