SCHEMBL7865734

SCHEMBL7865734

COC(=O)c1ccc(NC(=O)c2ccccc2F)cc1O.Cn1cc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NAMPT P43490 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
ABL1 P00519 1/20 0.41
DHX9 Q08211 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ROCK1 Q13464 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6819178 0.80 NAMPT (0.57) ALDH1A1LMNANAMPTMAPTABL1
SCHEMBL6815242 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL7081264 0.76 MEN1 (0.69) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL9081119 0.75 SMN1; SMN2 (0.66) ALDH1A1LMNASMN1; SMN2RAB9AKDM4E
SCHEMBL30640559 0.71 GRM5 (0.53) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3995125 0.70 ALDH1A1 (0.68) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL24730061 0.70 ATR (0.47) ALDH1A1SMN1; SMN2KDM4ENAMPTMAPT
SCHEMBL30641926 0.70 ATR (0.47) ALDH1A1SMN1; SMN2KDM4ENAMPTMAPT
SCHEMBL7078740 0.69 MAPT (0.73) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL38657047 0.68 MAP4K4 (0.49) ALDH1A1NAMPT

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
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed