SCHEMBL6609230

SCHEMBL6609230

C[C@@](N)(CO)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RIPK1 Q13546 1/20 0.33
CXCR2 P25025 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALOX5 P09917 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
DPP4 P27487 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL28756655 0.81 MAPT (0.50) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9442571 0.78
SCHEMBL29175499 0.78
SCHEMBL5775892 0.78
SCHEMBL13246749 0.77 MAPT (0.65) MAPTALDH1A1POLBCYP2C19CYP3A4
Hydrochloric Acid SCHEMBL21838537 0.76 MAPT (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL30514609 0.74 MAPT (0.41) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL15272291 0.74 MAPT (0.47) MAPTALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL21838536 0.74 MAPT (0.43) MAPTCYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL17140165 0.73 MAPT (0.43) MAPTALDH1A1MEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO disclosed