SCHEMBL18649490

SCHEMBL18649490

CCNC(=O)c1nc(CC(=O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.43
▸ GAA P10253 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL12548427 0.79 HSD17B10 (0.54) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL1706522 0.78 HSD17B10 (0.58) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL163023 0.77 NPC1 (0.37) HSD17B10ALDH1A1GAANPC1RAB9A
SCHEMBL30567660 0.77 HDAC3 (0.46) HSD17B10ALDH1A1GAAMAPTNPC1
SCHEMBL163024 0.77 NPC1 (0.37) HSD17B10ALDH1A1GAANPC1RAB9A
SCHEMBL2422284 0.76 PRKCZ (0.38) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL11130654 0.75 HSD17B10 (0.62) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL10067956 0.74 GAA (0.55) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL18971953 0.74 HSD17B10 (0.53) HSD17B10GABRA5GABRB2ALDH1A1GAA
SCHEMBL5875662 0.74 SMN1; SMN2 (0.45) HSD17B10GABRA5GABRB2ALDH1A1GAA

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-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 — — US disclosed
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