SCHEMBL9775596

SCHEMBL9775596

CCOC(=O)/C(C)=C(/N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
CYP19A1 P11511 3/20 0.47
NPC1 O15118 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 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
SCHEMBL2950703 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13243841 1.00 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9376226 0.85 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9376233 0.85 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7310816 0.84 MEN1 (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7093267 0.84 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9721402 0.84 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21734206 0.84 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9721404 0.84 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3398770 0.83 KMT2A (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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