SCHEMBL7448736

SCHEMBL7448736

CCOC(=O)[C@H](C)Nc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.45
ELANE P08246 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.41
GAA P10253 2/20 0.41
MDM2 Q00987 1/20 0.40

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
Hydrochloric Acid SCHEMBL7405743 0.98 NAMPT (0.44) NAMPTELANECA12CA1CA2
Hydrochloric Acid SCHEMBL3817699 0.83 MDM2 (0.42) LMNAKMT2AMEN1MAPK1BCHE
Hydrochloric Acid SCHEMBL9474612 0.83 MDM2 (0.42) LMNAKMT2AMEN1MAPK1BCHE
Hydrochloric Acid SCHEMBL9474603 0.83 MDM2 (0.42) LMNAKMT2AMEN1MAPK1BCHE
SCHEMBL6026706 0.83 ELANE (0.53) ELANECA12CA1CA2CA9
SCHEMBL8031605 0.83 ELANE (0.53) ELANECA12CA1CA2CA9
SCHEMBL655368 0.83 ELANE (0.53) ELANECA12CA1CA2CA9
Hydrochloric Acid SCHEMBL1171032 0.81 ELANE (0.52) ELANECA12CA1CA2CA9
SCHEMBL6555717 0.80 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL7373973 0.80 MAPT (0.55) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997047599-A1 SUCCINAMIDE DERIVATIVES USEFUL AS TNF- AND/OR MMP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-18 WO disclosed