SCHEMBL7960592

SCHEMBL7960592

CCOC(=O)c1cnc(-c2ccccc2)n(CC(=O)O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
ALDH1A1 P00352 7/20 0.60
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.60
MAPT P10636 5/20 0.57
KDM4E B2RXH2 5/20 0.57
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL9894331 0.86 MAPT (0.56) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL31558583 0.86 KDM4E (0.51) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL7959390 0.85 KDM4E (0.55) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL7293735 0.84 KDM4E (0.54) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL6558284 0.83 KDM4E (0.53) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL1527905 0.81 MAPT (0.58) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL456136 0.81 MAPT (0.52) SMN1; SMN2ALDH1A1HPGDTSHRMAPT
SCHEMBL30765677 0.77 KDM4E (0.49) ALDH1A1HPGDKDM4ECYP1A2CYP2C9
SCHEMBL7965688 0.77 KDM4E (0.45) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E
SCHEMBL7951054 0.77 CYP1A2 (0.43) SMN1; SMN2ALDH1A1HPGDTSHRKDM4E

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-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed