SCHEMBL9627288

SCHEMBL9627288

CC(C)(C)OC(=O)C(=NOCc1csc(N)n1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.33
LMNA P02545 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
SCHEMBL6791297 0.80 GABRA5 (0.47) GABRA5GABRB2HSD17B10MAPTALDH1A1
SCHEMBL10991421 0.74 GABRA5 (0.58) GABRA5GABRB2HSD17B10MAPTALDH1A1
SCHEMBL8768623 0.71 GABRA5 (0.43) GABRA5GABRB2HSD17B10MAPTALDH1A1
SCHEMBL8526129 0.71 GABRA5 (0.43) GABRA5GABRB2HSD17B10MAPTALDH1A1
SCHEMBL8529520 0.71 TSHR (0.35) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL3999942 0.69 GABRA5 (0.51) GABRA5GABRB2HSD17B10MAPTALDH1A1
SCHEMBL2789164 0.69 GABRA5 (0.51) GABRA5GABRB2HSD17B10MAPTALDH1A1
SCHEMBL7079213 0.69 MAPT (0.43) HSD17B10MAPTALDH1A1NPC1RAB9A
SCHEMBL7079216 0.69 MAPT (0.43) HSD17B10MAPTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL8913011 0.68 GABRA5 (0.50) GABRA5GABRB2HSD17B10MAPTALDH1A1

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
US-5091382-A CEPHALOSPORIN DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed