SCHEMBL5779884

SCHEMBL5779884

CC(C)(C)N(Cc1cccc(CN2C(=O)c3c(NC(=O)c4ccc(Cl)s4)cccc3C2O)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ACKR3 P25106 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
PRSS12 P56730 2/20 0.33
STK33 Q9BYT3 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5783337 0.88 F10 (0.43) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL3381006 0.83 F10 (0.45) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL5779487 0.83 F10 (0.45) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL6404276 0.82 F10 (0.43) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL3377662 0.81 HPGD (0.44) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL3979217 0.78 HPGD (0.40) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL5780260 0.78 HPGD (0.41) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL8229731 0.75 F10 (0.39) F10SMN1; SMN2ALDH1A1HPGDACKR3
SCHEMBL5784009 0.73 F10 (0.39) F10SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL6653375 0.71 F10 (0.37) F10SMN1; SMN2ALDH1A1HPGDACKR3

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-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed