SCHEMBL9052092

SCHEMBL9052092

COC(=O)Oc1cscc1NC(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK8 P45983 3/20 0.51
MAPK10 P53779 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK9 P45984 2/20 0.51
HPGD P15428 3/20 0.50
GAA P10253 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
GLS O94925 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1037707 0.78 MAPK8 (0.66) KMT2AMAPK8MAPK10MEN1MAPK9
SCHEMBL9050785 0.76 MAPK8 (0.64) KMT2AMAPK8MAPK10MEN1MAPK9
SCHEMBL31400055 0.75 HPGD (0.54) KMT2AMAPK8MAPK10MEN1HPGD
SCHEMBL27603123 0.75 HPGD (0.54) KMT2AMAPK8MAPK10MEN1MAPK9
SCHEMBL6169172 0.73 MEN1 (0.83) KMT2AMEN1HPGDGAAHDAC1
SCHEMBL4607222 0.72 KMT2A (0.46) KMT2AHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL9049807 0.72 CYP1A2 (0.56) MAPK8MAPK10MAPK9HPGDGAA
SCHEMBL28577453 0.69 MEN1 (0.74) KMT2AMEN1GAAHDAC1HDAC8
SCHEMBL13936057 0.69 KDM4E (0.74) KMT2AMAPK8MAPK10MEN1MAPK9
SCHEMBL13715870 0.69 SMN1; SMN2 (0.58) KMT2AALDH1A1SMN1; SMN2L3MBTL1ATM

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-0717044-A1 Thienopyridone derivatives, their preparation and their use as NMDA-receptor antagonists MERCK PATENT GmbH (DE) 1996-06-19 EP disclosed