SCHEMBL27675798

SCHEMBL27675798

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 3/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
NOS1 P29475 2/20 0.35
POLB P06746 1/20 0.34
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 2/20 0.33
BAZ2A Q9UIF9 1/20 0.32
GSTO1 P78417 1/20 0.32

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
SCHEMBL27675800 0.84 TSHR (0.46) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL28763146 0.80 TSHR (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27694344 0.79 TSHR (0.43) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL9355256 0.78 TSHR (0.45) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27675802 0.78 TSHR (0.40) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL28763144 0.78 TSHR (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27694342 0.78 TSHR (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27675797 0.76 TSHR (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27703557 0.75 TSHR (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL4683949 0.73 TSHR (0.47) 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