SCHEMBL8550797

SCHEMBL8550797

Cc1c(NC(=O)Cc2cccs2)ccc2oc(N[C@@H](Cc3ccccc3)C(=O)O)nc(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 8/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
APOBEC3A P31941 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6500859 0.87 CTRB1 (0.53) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL8549217 0.87 ELANE (0.41) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL8545041 0.84 ELANE (0.43) ALDH1A1KMT2AMEN1POLBMAPK1
SCHEMBL7659173 0.81 ATM (0.43) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL7843279 0.80 ELANE (0.51) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL6498025 0.76 CTRB1 (0.47) KMT2ASMN1; SMN2NPC1ELANERAB9A
SCHEMBL8548636 0.75 MMP12 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL8545895 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL6499604 0.74 CTRB1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2ELANE
SCHEMBL8549764 0.73 ELANE (0.47) ALDH1A1KMT2AMEN1ELANE

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-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed