SCHEMBL2903975

SCHEMBL2903975

CCc1ccc(-c2cn(CCCNc3ccc([N+](=O)[O-])c(N)n3)cc2NC(=O)CN2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.36
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 2/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33
DRD4 P21917 1/20 0.32

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
SCHEMBL2913211 0.95 POLB (0.46) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2907498 0.92 RAB9A (0.38) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2904881 0.91 RAB9A (0.39) ALDH1A1MAPK1HTTKMT2AKDM4E
SCHEMBL2904441 0.90 ALDH1A1 (0.35) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2910394 0.90 KDM4E (0.39) POLBALDH1A1MAPK1HTTKMT2A
SCHEMBL2909834 0.89 ALDH1A1 (0.33) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2910867 0.89 ALDH1A1 (0.33) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2912942 0.88 ALDH1A1 (0.35) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2910392 0.88 ALDH1A1 (0.35) POLBALDH1A1RECQLMAPK1HTT
SCHEMBL2908407 0.85 GSK3B (0.34) GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed