SCHEMBL27587682

SCHEMBL27587682

CC(NC(=O)N(C)C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
ACACB O00763 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 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
SCHEMBL14097766 1.00 HSD17B10 (0.56) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL15022944 0.83 ACACB (0.55) HSD17B10KMT2AALDH1A1KDM4ELMNA
SCHEMBL15022946 0.83 ACACB (0.55) HSD17B10KMT2AALDH1A1KDM4ELMNA
SCHEMBL6273813 0.82 CNR2 (0.50) KMT2AALDH1A1POLBMAPT
SCHEMBL9119484 0.82 LMNA (0.51) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9932241 0.81 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1LMNAACACB
SCHEMBL9932242 0.81 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1LMNAACACB
SCHEMBL25336459 0.79 MMP9 (0.66) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL8715641 0.79 HSD17B10 (0.75) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL2672977 0.79 HSD17B10 (0.63) HSD17B10MEN1KMT2AALDH1A1KDM4E

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
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed