SCHEMBL7653048

SCHEMBL7653048

CCOC(=O)C(Oc1cnc(SC)nc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 8/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 7/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7653054 0.78 KMT2A (0.43) KMT2AMEN1SYKALDH1A1TDP1
SCHEMBL10443906 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL243831 0.73 MEN1 (0.51) KMT2AMEN1SYKALDH1A1TDP1
SCHEMBL23094461 0.71 SMN1; SMN2 (0.45) KMT2AMEN1SYKALDH1A1TDP1
SCHEMBL8328608 0.70 KMT2A (0.44) KMT2AALDH1A1POLBMAPTLMNA
SCHEMBL12924638 0.70 LMNA (0.36) KMT2AMEN1SYKALDH1A1MAPT
SCHEMBL5711752 0.69 TDP1 (0.54) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL8332612 0.69 CCNC (0.49) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL30912635 0.69 ALDH1A1 (0.46) KMT2AMEN1SYKALDH1A1TDP1
SCHEMBL1551098 0.69 MEN1 (0.33) KMT2AMEN1KDM4E

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-6482947-B1 Substituted (hetero) aryl compounds, process for their preparation, agents containing them and their use as safeners HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-19 US claimed