SCHEMBL3848857

SCHEMBL3848857

CCCCOC(=O)Nc1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
RAB9A P51151 4/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 1/20 0.56
PLK1 P53350 5/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 1/20 0.52
F10 P00742 1/20 0.51
CASP1 P29466 1/20 0.51
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLK3 Q9H4B4 3/20 0.48

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
SCHEMBL21059158 0.82 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL2320061 0.81 SMN1; SMN2 (0.77) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL7378894 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL13506223 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL3867996 0.81 SMN1; SMN2 (0.68) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL8057145 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL6609768 0.80 CYP1A2 (0.63) SMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL2323633 0.80 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL21059262 0.79 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD
SCHEMBL21059156 0.79 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19RAB9AHPGD

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-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed