SCHEMBL12909285

SCHEMBL12909285

CC1CCCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.45
ROCK2 O75116 10/20 0.45
ROCK1 Q13464 7/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL10149810 0.87 GAA (0.60) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL12909290 0.87 POLB (0.65) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL10149809 0.86 POLB (0.64) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL10149736 0.86 POLB (0.64) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL10149822 0.85 ALDH1A1 (0.52) MAPTGAAALDH1A1POLBLMNA
SCHEMBL1658864 0.81 ALDH1A1 (0.61) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL1659183 0.81 KDM4E (0.55) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL1658801 0.81 KDM4E (0.64) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL1658319 0.81 KDM4E (0.57) KDM4EMAPTGAAALDH1A1POLB
SCHEMBL12898994 0.81 ROCK2 (0.56) ROCK2ROCK1ATMNPSR1

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-2011019400-A2 ENHANCEMENT OF CELLULAR TRANSPLANTATION USING SMALL MOLECULE MODULATORS HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2011-02-17 WO disclosed
WO-2009064422-A2 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. (US) 2009-05-22 WO disclosed