SCHEMBL1126894

SCHEMBL1126894

Cc1[nH]c(C(=O)C(=O)Cl)c(-c2ccccc2)c1CCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MCL1 Q07820 9/20 0.42
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.38
PTGER4 P35408 1/20 0.37
BCL2 P10415 1/20 0.36
LIPE Q05469 1/20 0.36

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
SCHEMBL1126936 0.86 CSF1R (0.39) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1127778 0.83 LMNA (0.39) LMNAALDH1A1RAB9AMCL1GAA
SCHEMBL1127399 0.81 LMNA (0.35) LMNAALDH1A1RAB9AMCL1GAA
SCHEMBL1127186 0.79 MTNR1A (0.45) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1127408 0.79 RAB9A (0.39) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1126974 0.78 LMNA (0.43) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1126902 0.78 LMNA (0.38) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1127366 0.74 LMNA (0.37) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1126655 0.74 TBXAS1 (0.42) ALDH1A1SMN1; SMN2RAB9AHTTMAPT
SCHEMBL1126648 0.69 CSF1R (0.37) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed