SCHEMBL11262890

SCHEMBL11262890

CC(C(=O)O)c1cccc2c(-c3ccccc3N(C)C)nccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
NSD2 O96028 2/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCL8 P10145 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
PTGS2 P35354 1/20 0.33
ALOX5 P09917 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 3/20 0.32
GAA P10253 2/20 0.32
MAOA P21397 1/20 0.32
PARP14 Q460N5 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
SCHEMBL11439308 0.83 CXCL8 (0.46) ALDH1A1L3MBTL1CXCL8AKR1C3AKR1C2
SCHEMBL11251904 0.83 CXCL8 (0.35) CXCL8AKR1C3AKR1C2PTGS2ALOX5
SCHEMBL11266224 0.81 CXCL8 (0.41) ALDH1A1MAPTEGFRMAPK1TDP1
SCHEMBL11257643 0.80 PSEN1 (0.39) CNR2ALDH1A1MAPTLMNAMAPK1
SCHEMBL11254442 0.78 KDM4E (0.38) ALDH1A1MAPTTP53SMN1; SMN2KDM4E
SCHEMBL11249334 0.77 TDP1 (0.44) CNR2MAPTTDP1SLC40A1PTGS2
SCHEMBL11256929 0.75 RAB9A (0.40) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL11257836 0.74 BCHE (0.41) MAPTAKR1C3AKR1C2PTGS2MMP1
SCHEMBL11259590 0.74 TRPV1 (0.37) ALDH1A1CXCL8PTGS2MMP1MMP2
SCHEMBL11255431 0.74 SELPLG (0.44) LMNACXCL8MAOA

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
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed