SCHEMBL23960911

SCHEMBL23960911

C=C(CNS(=O)(=O)c1ccc(C)cc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
ALDH1A1 P00352 7/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MEN1 O00255 5/20 0.58
LMNA P02545 1/20 0.53
AIMP2 Q13155 1/20 0.53
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL23929407 0.86 KMT2A (0.65) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL31356929 0.75 ALDH1A1 (0.74) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL12302133 0.75 ALDH1A1 (0.74) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL7090406 0.75 CA2 (0.73) KMT2AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL22501097 0.74 MAPT (0.65) KMT2AALDH1A1SMN1; SMN2MEN1MAPK1
SCHEMBL2627764 0.74 ALDH1A1 (0.68) KMT2AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL9885366 0.73 POLB (0.78) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL6565018 0.72 RAB9A (0.62) KMT2AALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL22501273 0.72 KMT2A (0.77) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL30964136 0.72 KMT2A (0.77) KMT2AALDH1A1TSHRSMN1; SMN2HSD17B10

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
WO-2021214785-A1 IMPROVED PROCESS FOR THE PREPARATION OF ROXADUSTAT MYLAN LABORATORIES LIMITED (IN) 2021-10-28 WO disclosed