SCHEMBL22624686

SCHEMBL22624686

O=C(Nc1ccccc1)OCCCC(=S)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
HTT P42858 5/20 0.52
MAPT P10636 5/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.46
OPRK1 P41145 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL22624780 0.95 LMNA (0.50) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL8320641 0.83 LMNA (0.57) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL22624685 0.81 SMN1; SMN2 (0.62) LMNAHTTMAPTHSD17B10RAB9A
SCHEMBL22624684 0.80 CDK1 (0.57) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL8319913 0.78 LMNA (0.54) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL2093580 0.77 LMNA (0.60) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL10476873 0.77 RAB9A (0.80) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL12116138 0.75 LMNA (0.61) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL12116162 0.74 MEN1 (0.55) LMNAHTTMAPTHSD17B10NPC1
SCHEMBL7383453 0.74 MAPT (0.72) LMNAHTTMAPTNPC1RAB9A

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-2020223609-A1 METHODS AND COMPOSITIONS FOR SENSITIZING CANCER CELLS TO DRUG-INDUCED APOPTOSIS NEW YORK UNIVERSITY (US) 2020-11-05 WO disclosed