SCHEMBL9355256

SCHEMBL9355256

COC(N)(C(=O)O)c1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NOS1 P29475 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
Hydrochloric Acid SCHEMBL27348115 0.84 ALDH1A1 (0.41) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL27675798 0.78 TSHR (0.41) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL4255129 0.77 TSHR (0.45) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL27820010 0.77 ALDH1A1 (0.39) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL4683949 0.75 TSHR (0.47) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL27370392 0.75 GABRA5 (0.46) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL27703557 0.74 TSHR (0.41) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL20640303 0.74 GABRA5 (0.44) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL21044247 0.73 TSHR (0.48) TSHRGABRA5GABRB2HSD17B10HPGD
SCHEMBL20769737 0.73 HSD17B10 (0.47) TSHRHSD17B10HPGDHTTALDH1A1

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
EP-0347777-B1 Process for preparing cephalosporins and intermediates therefor BIOCHEMIE SA (ES) 1994-11-09 EP disclosed