SCHEMBL27675802

SCHEMBL27675802

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
NOS1 P29475 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 2/20 0.35
BAZ2A Q9UIF9 1/20 0.33
GSTO1 P78417 1/20 0.33
MPL P40238 4/20 0.32
KDM4B O94953 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
SCHEMBL28763146 0.83 TSHR (0.41) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL27694344 0.81 TSHR (0.43) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL27694342 0.80 TSHR (0.39) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL28763144 0.80 TSHR (0.39) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL27675797 0.79 TSHR (0.41) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL27675798 0.78 TSHR (0.41) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL27675799 0.75 TSHR (0.44) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL27675800 0.74 TSHR (0.46) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL20640303 0.74 GABRA5 (0.44) TSHRHSD17B10GABRA5GABRB2NOS1
SCHEMBL28767062 0.73 TSHR (0.35) TSHRHSD17B10GABRA5GABRB2NOS1

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