SCHEMBL7433788

SCHEMBL7433788

NC(=O)c1nccc2c(O)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
RAB9A P51151 3/20 0.44
KDM4A O75164 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
CDK2 P24941 1/20 0.42
BRAF P15056 1/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
PIM1 P11309 2/20 0.38
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38

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
SCHEMBL28279066 0.85 KDM4E (0.46) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL7430168 0.84 KDM4E (0.53) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL7435991 0.82 PDE3B (0.45) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL6274459 0.79 KDM4E (0.44) KDM4EL3MBTL1RAB9ABRAFMAPT
SCHEMBL6274454 0.78 YTHDC1 (0.43) KDM4EL3MBTL1RAB9AKDM4AEGLN1
SCHEMBL27626910 0.77 TTR (0.51) KDM4EL3MBTL1CDK2BRAFHSD17B10
SCHEMBL9849262 0.77 L3MBTL1 (0.39) KDM4EL3MBTL1RAB9ABRAFLIMK1
SCHEMBL30452318 0.75 EGLN2 (0.51) KDM4EL3MBTL1RAB9AMAPTTSHR
SCHEMBL324349 0.75 EGLN2 (0.51) KDM4EL3MBTL1RAB9AMAPTTSHR
SCHEMBL9849287 0.74 PLAU (0.40) KDM4EL3MBTL1BRAFCLK2LIMK1

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
EP-0435235-B1 Isoquinoline derivatives and salts thereof as protease inhibitors. SNOW BRAND MILK PRODUCTS CO LTD (JP) 1995-03-08 EP disclosed
US-5116985-A Protease Inhibitors, Antitrypsin Agents SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1992-05-26 US disclosed
EP-0435235-A1 Isoquinoline derivatives and salts thereof as protease inhibitors. SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1991-07-03 EP disclosed