SCHEMBL7414908

SCHEMBL7414908

COc1ccc(CCNCCN2CCCSc3ccccc32)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.45
SLC2A1 P11166 1/20 0.45
SMPD1 P17405 2/20 0.43
SHMT2 P34897 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43
ADRB2 P07550 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7414798 0.82 SHMT2 (0.51) MAPTALDH1A1MEN1GAAPKM
Fumaric Acid SCHEMBL30357950 0.78 MAPT (0.48) MAPTALDH1A1MEN1GAAPKM
SCHEMBL8894236 0.75 SHMT2 (0.50) MAPTALDH1A1MEN1GAAPKM
SCHEMBL8894242 0.75 SHMT2 (0.50) MAPTALDH1A1MEN1GAAPKM
SCHEMBL7435099 0.71 ATM (0.76) MAPTALDH1A1MEN1KMT2ASLC2A1
SCHEMBL515430 0.70 SLC2A1 (0.74) ALDH1A1MEN1KMT2ASLC2A1SMPD1
Hydrochloric Acid SCHEMBL11808765 0.70 ATM (0.73) MAPTALDH1A1MEN1KMT2ASLC2A1
Bromide SCHEMBL11515734 0.69 SLC2A1 (0.72) ALDH1A1MEN1KMT2ASLC2A1SMPD1
SCHEMBL13344551 0.67 SLC2A1 (0.87) MAPTALDH1A1MEN1KMT2ASLC2A1
SCHEMBL8853801 0.66 HDAC1 (0.51) MAPTALDH1A1GAATP53HDAC1

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-4584292-A Antihypertensive 1,5-benzothiazepine derivatives and compositions thereof KOTOBUKI SEIYAKU CO., LTD. (JP) 1986-04-22 US claimed