SCHEMBL2215985

SCHEMBL2215985

CCOC(=O)c1ccc(-c2cccc(NC)c2C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CDKN1A P38936 1/20 0.43
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
P2RY12 Q9H244 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 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
SCHEMBL811649 0.79 CA12 (0.56) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL29800427 0.79 CA12 (0.56) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL28779574 0.78 MKNK1 (0.46) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL2218769 0.77 CYP1A2 (0.41) SMN1; SMN2TP53MAPTCDKN1ANPC1
SCHEMBL6178023 0.76 ALDH1A1 (0.49) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL5964500 0.75 OXTR (0.48) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL4651619 0.75 CYP1A2 (0.47) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL1222552 0.74 NPC1 (0.62) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL12380464 0.74 HCAR3 (0.60) SMN1; SMN2MAPTJAK3JAK2JAK1
SCHEMBL18104381 0.74 CA12 (0.50) SMN1; SMN2MAPTNPC1RAB9AMEN1

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
EP-1638964-B1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-07-27 EP disclosed