SCHEMBL8442502

SCHEMBL8442502

COC(=O)c1cc(C(=O)NCCN(C)C)cc(-c2cccc3oc(C(F)F)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.39
CAMK2D Q13557 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
TOP2A P11388 1/20 0.38
ABL1 P00519 1/20 0.38
USP2 O75604 1/20 0.38
GRK5 P34947 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAP4K4 O95819 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8443248 0.87 ROCK2 (0.41) FYNALDH1A1CYP2D6LMNA
SCHEMBL8441352 0.83 FYN (0.41) FYNKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8440006 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10CYP2D6TOP2A
SCHEMBL8442901 0.79 NPC1 (0.46) ALDH1A1GPR52
SCHEMBL8444336 0.79 L3MBTL1 (0.44) FYNKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8444324 0.79 USP2 (0.41) FYNALDH1A1CAMK2DABL1USP2
Hydrochloric Acid SCHEMBL8440088 0.78 ALDH1A1 (0.41) FYNKDM4EALDH1A1HSD17B10CYP2D6
SCHEMBL8442844 0.77 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10CYP2D6TOP2A
Hydrochloric Acid SCHEMBL8440657 0.76 KDM4E (0.42) FYNKDM4EALDH1A1HSD17B10TOP2A
SCHEMBL8443415 0.75 ALDH1A1 (0.46) FYNKDM4EALDH1A1HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed