SCHEMBL30802159

SCHEMBL30802159

CP1(=O)CCC(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.55
PKM P14618 4/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
HTT P42858 3/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 6/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
DOT1L Q8TEK3 1/20 0.44
BRD4 O60885 1/20 0.43
XBP1 P17861 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21542144 1.00 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL21542147 0.90 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL1541487 0.85 MAPT (0.64) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL1700469 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL523822 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL1811004 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL523824 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL1700465 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL31286223 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL1700574 0.84 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2KMT2A

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-3565815-B1 COMPOUNDS AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOCHON PHARMACEUTICALS LTD (CN) 2024-03-13 EP disclosed