SCHEMBL9876692

SCHEMBL9876692

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL28072097 0.76 HSD17B10 (0.49) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL27383162 0.72
SCHEMBL10506090 0.70 HSD17B10 (0.47) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL4258592 0.68
SCHEMBL1565803 0.68 HSD17B10 (0.46) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL7192491 0.68 HSD17B10 (0.46) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL14003554 0.68 GABRA5 (0.46) GABRA5GABRB2HSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1758691 0.67 HSD17B10 (0.44) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL999291 0.67 GABRA5 (0.45) GABRA5GABRB2HSD17B10ALDH1A1MAPT
SCHEMBL8871075 0.67 HSD17B10 (0.41) GABRA5GABRB2HSD17B10ALDH1A1MAPT

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-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed