SCHEMBL27675800

SCHEMBL27675800

[CH2]C(OCC)(C(C)=O)c1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BAZ2A Q9UIF9 1/20 0.35
MAPK1 P28482 1/20 0.34
NOS1 P29475 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27675798 0.84 TSHR (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL28763146 0.77 TSHR (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27694344 0.75 TSHR (0.43) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL28763144 0.74 TSHR (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27694342 0.74 TSHR (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27675802 0.74 TSHR (0.40) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL28683993 0.73 TSHR (0.44) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27675797 0.73 TSHR (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27675799 0.72 TSHR (0.44) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL2322489 0.71 TSHR (0.61) TSHRALDH1A1MAPTMEN1KMT2A

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
CN-85105977-A The preparation method of antimicrobial compounds 1987-02-25 CN disclosed