SCHEMBL884267

SCHEMBL884267

C=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(C(=O)CI)C2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
BTK Q06187 7/20 0.32
CREBBP Q92793 1/20 0.32
REN P00797 2/20 0.32
PARP1 P09874 1/20 0.32
ITK Q08881 1/20 0.32
EGFR P00533 4/20 0.31
TEC P42680 2/20 0.31
CD69 Q07108 1/20 0.31
RIPK2 O43353 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
YES1 P07947 1/20 0.31
LYN P07948 1/20 0.31
HCK P08631 1/20 0.31

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
SCHEMBL2062792 0.90 SIGMAR1 (0.35) LMNAALDH1A1SIGMAR1BTKREN
SCHEMBL886101 0.87 REN (0.38) ALDH1A1POLBSIGMAR1REN
SCHEMBL884456 0.87 MAPK8 (0.35) MEN1KMT2AALDH1A1REN
SCHEMBL885827 0.84 SMN1; SMN2 (0.38) LMNAMEN1KMT2AALDH1A1HPGD
SCHEMBL884926 0.81 ALDH1A1 (0.44) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL885664 0.80 SLC18A3 (0.38) POLBSIGMAR1SMN1; SMN2
SCHEMBL886633 0.79 HDAC1 (0.34) LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL2063270 0.78 SIGMAR1 (0.44) ALDH1A1POLBSIGMAR1HPGD
SCHEMBL2062942 0.78 CYP2D6 (0.37) ALDH1A1POLBSIGMAR1RENPARP1
SCHEMBL884275 0.77 ALDH1A1 (0.35) MEN1KMT2AALDH1A1POLBBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed