SCHEMBL14619296

SCHEMBL14619296

COc1ccc(-c2cnnn2-c2cc(O)c(OC)c(OC)c2)cc1NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL411149 0.96 LMNA (0.44) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL14619295 0.85 LMNA (0.47) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4108908 0.84 LMNA (0.47) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13041051 0.82 LMNA (0.45) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL413395 0.81 LMNA (0.45) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3302673 0.80 ALDH1A1 (0.48) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10189689 0.79 NPSR1 (0.49) LMNAALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL407548 0.79 ALDH1A1 (0.47) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3302459 0.78 ALDH1A1 (0.47) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL10189687 0.78 LMNA (0.46) LMNAALDH1A1MAPTHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014198-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 WO disclosed