SCHEMBL8545872

SCHEMBL8545872

CSCC[C@H](Nc1nc(=O)c2c(C)cccc2o1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 3/20 0.43
ELANE P08246 4/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTRB1 P17538 1/20 0.38
PRNP P04156 1/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8549933 0.86 ELANE (0.44) ELANECTRB1
SCHEMBL6496892 0.84 ELANE (0.60) ELANECTRB1
SCHEMBL8545895 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AELANELMNA
SCHEMBL8545278 0.79 ELANE (0.47) ALDH1A1ELANELMNACTRB1
SCHEMBL8551382 0.79 ELANE (0.47) ALDH1A1ELANELMNACTRB1
SCHEMBL8549203 0.77 TTR (0.41) ALDH1A1MEN1KMT2AELANEL3MBTL1
SCHEMBL8546638 0.77 ELANE (0.45) ALDH1A1KMT2AELANEKDM4ECTRB1
SCHEMBL10964892 0.75 ELANE (0.72) ELANECTRB1
SCHEMBL8545277 0.74 MAPT (0.59) ALDH1A1MEN1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL10961198 0.73 ELANE (0.62) ELANECTRB1

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