SCHEMBL8722759

SCHEMBL8722759

CCOC(=O)c1cnc(NC(=O)/C(=C\C=O)CN)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
RAB9A P51151 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 2/20 0.47
CSNK1D P48730 1/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8724476 0.86 JUN (0.44) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8721300 0.85 RAB9A (0.52) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL8722135 0.85 ADORA3 (0.48) L3MBTL1ADORA3
SCHEMBL8722769 0.85 JUN (0.57) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8726399 0.83 RAB9A (0.42) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL8725171 0.83 NFKB1 (0.52) ALDH1A1SMN1; SMN2MAPTRAB9ANPSR1
SCHEMBL8721318 0.82 RAB9A (0.38) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8721338 0.82 MAPK1 (0.41) ALDH1A1MAPK1KDM4EKMT2ATSHR
SCHEMBL8724454 0.81 HSP90AA1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8721324 0.80 KDM4E (0.56) MAPTRAB9ANPSR1NPC1KDM4E

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-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed