SCHEMBL9864403

SCHEMBL9864403

Nc1nc(CC(=O)O)cs1.[NaH]

nearest known ligand 0.96

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.96
GABRA5 P31644 1/20 0.96
GABRB2 P47870 1/20 0.96
LMNA P02545 1/20 0.49
NOS1 P29475 1/20 0.47
GAA P10253 4/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL909845 0.98 HSD17B10 (1.00) HSD17B10GABRA5GABRB2LMNANOS1
Hydrochloric Acid SCHEMBL9694699 0.96 GABRA5 (0.96) HSD17B10GABRA5GABRB2LMNANOS1
Methyl Alcohol SCHEMBL10946415 0.94 HSD17B10 (0.93) HSD17B10GABRA5GABRB2LMNANOS1
Acetic Acid SCHEMBL27742442 0.93 HSD17B10 (0.89) HSD17B10GABRA5GABRB2LMNANOS1
SCHEMBL28100058 0.83 GABRA5 (0.71) HSD17B10GABRA5GABRB2GAAALDH1A1
SCHEMBL7845357 0.83 GABRA5 (0.71) HSD17B10GABRA5GABRB2GAAALDH1A1
SCHEMBL1797901 0.82 GABRA5 (0.72) HSD17B10GABRA5GABRB2LMNANOS1
SCHEMBL17492250 0.81 GABRA5 (0.70) HSD17B10GABRA5GABRB2NOS1GAA
SCHEMBL11926737 0.81 HSD17B10 (0.70) HSD17B10GABRA5GABRB2NOS1GAA
SCHEMBL3736516 0.81 GABRA5 (0.70) HSD17B10GABRA5GABRB2NOS1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed