SCHEMBL21640563

SCHEMBL21640563

CCCc1nnc(NC(=O)C2CNC2)s1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ GAA P10253 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GLS O94925 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GLA P06280 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 2/20 0.49

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 SCHEMBL21641194 0.99 TSHR (0.56) TSHRGAARECQLKMT2AMEN1
SCHEMBL21368796 0.79 GLS (0.76) TSHRGAARECQLKMT2AMEN1
SCHEMBL15200203 0.77 GLS (0.71) TSHRGAARECQLKMT2AMEN1
Hydrochloric Acid SCHEMBL21641476 0.76 KMT2A (0.65) GAARECQLKMT2AMEN1ALDH1A1
SCHEMBL10800648 0.75 ALDH1A1 (0.72) GAARECQLKMT2AALDH1A1KDM4E
SCHEMBL10800392 0.74 RECQL (0.63) TSHRGAARECQLKMT2AMEN1
SCHEMBL15727757 0.74 GLS (0.67) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL12768097 0.73 TSHR (0.84) TSHRGAARECQLKMT2AMEN1
SCHEMBL3456386 0.73 RAB9A (0.66) TSHRGAARECQLKMT2AMEN1
SCHEMBL14987417 0.72 GLS (0.76) TSHRGAAKMT2AMEN1ALDH1A1

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-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 — — EP disclosed
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