SCHEMBL7760010

SCHEMBL7760010

CN1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
MEN1 O00255 3/20 0.76
HTT P42858 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL6289816 0.88 KMT2A (0.59) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL7756917 0.87 KMT2A (0.72) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL7760912 0.85 MEN1 (0.74) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL23269308 0.85 HTT (0.74) KMT2AMEN1HTTLMNAHSD17B10
SCHEMBL7756911 0.84 LMNA (0.54) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL3455654 0.84 HTT (1.00) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL6293769 0.79 KMT2A (0.61) KMT2AMEN1HTTLMNAHSD17B10
SCHEMBL10722273 0.77 L3MBTL1 (0.74) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL15966080 0.75 L3MBTL1 (0.62) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL11724672 0.75 KMT2A (0.65) KMT2AMEN1HTTL3MBTL1LMNA

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-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed