SCHEMBL8199066

SCHEMBL8199066

COC(=O)c1ccc(C(=O)Nc2sc(Cl)cc2C(=O)NCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 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
SCHEMBL8245383 0.93 ROCK2 (0.52) LMNASMN1; SMN2TDP1HPGDMAPT
SCHEMBL7890903 0.92 NR1H4 (0.57) LMNASMN1; SMN2TDP1KMT2A
SCHEMBL8200517 0.89 SMN1; SMN2 (0.53) LMNASMN1; SMN2TDP1HPGDMAPT
SCHEMBL8206929 0.87 ALDH1A1 (0.56) LMNASMN1; SMN2TDP1HPGDMAPT
SCHEMBL8206605 0.86 NPC1 (0.48) LMNASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL8206330 0.85 MEN1 (0.50) LMNASMN1; SMN2HPGDMAPTKMT2A
SCHEMBL7888438 0.85 ROCK2 (0.52) LMNASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL8209588 0.84 LMNA (0.50) LMNASMN1; SMN2TDP1HPGDMAPT
SCHEMBL8207730 0.83 ALDH1A1 (0.51) LMNASMN1; SMN2HPGDMAPTKMT2A
SCHEMBL8212431 0.83 TDP1 (0.54) LMNASMN1; SMN2TDP1HPGDKMT2A

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed