SCHEMBL7314330

SCHEMBL7314330

Cc1nn(-c2ccccc2)c(C)c1[C]=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE4D Q08499 1/20 0.48
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.46
KDM4C Q9H3R0 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL4881784 0.78 POLB (0.45) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL17787695 0.76 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL2453964 0.75 SMN1; SMN2 (0.66) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL3056784 0.75 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL12770947 0.72 MEN1 (0.65) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL14495384 0.72 KDM4C (0.62) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL6966371 0.72 SMN1; SMN2 (1.00) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL11330176 0.72 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL31755975 0.72 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ETDP1POLBAPEX1
SCHEMBL13564632 0.72 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ETDP1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed