SCHEMBL27675797

SCHEMBL27675797

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.40
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NOS1 P29475 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PIK3CG P48736 1/20 0.35
KDM4B O94953 2/20 0.34
KDM5C P41229 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
KDM6B O15054 1/20 0.34

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
SCHEMBL27694344 0.80 TSHR (0.43) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL27675802 0.79 TSHR (0.40) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL27694342 0.79 TSHR (0.39) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL27675799 0.77 TSHR (0.44) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL27675798 0.76 TSHR (0.41) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL4255129 0.76 TSHR (0.45) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL27370392 0.74 GABRA5 (0.46) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL27675800 0.73 TSHR (0.46) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL20640303 0.73 GABRA5 (0.44) TSHRHSD17B10GABRA5GABRB2HPGD
SCHEMBL9355256 0.72 TSHR (0.45) TSHRHSD17B10GABRA5GABRB2HPGD

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