SCHEMBL9775599

SCHEMBL9775599

CCOC(=O)c1c(C(CC)OC)nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ADORA3 P0DMS8 6/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 4/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL9775629 0.77 MAPK1 (0.44) SMN1; SMN2MAPTALDH1A1LMNANPC1
SCHEMBL9775636 0.76 SMN1; SMN2 (0.55) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL7678610 0.71 ADORA3 (0.68) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL8949567 0.71 MAPT (0.69) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL15976546 0.70 ALDH1A1 (1.00) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL9775613 0.69 ALDH1A1 (0.62) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL9775695 0.68 ALDH1A1 (0.60) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL28199488 0.68 ADORA3 (0.76) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL9269469 0.67 ADORA3 (0.59) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL9775683 0.67 POLB (0.58) SMN1; SMN2MAPTALDH1A1KDM4EGAA

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-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US disclosed
US-4925859-A Novel 4-hydroxy-3-pyridine-carboxamides useful for treating inflammation and rheumatism ROUSSEL UCLAF (FR) 1990-05-15 US disclosed