SCHEMBL8768808

SCHEMBL8768808

Nc1nc2ncc(CNc3ccc(C(=O)NC(CC(CO)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 5/20 0.76
▸ TYMS P04818 3/20 0.76
▸ KDM4E B2RXH2 1/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ ALDH1A1 P00352 1/20 0.76
▸ POLB P06746 1/20 0.76
▸ GAA P10253 1/20 0.76
▸ HPGD P15428 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ PTGS2 P35354 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ HSD17B10 Q99714 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ ADORA3 P0DMS8 1/20 0.55
▸ DHFR P00374 5/20 0.54
▸ GART P22102 2/20 0.51
▸ ATIC P31939 1/20 0.51
▸ NOS1 P29475 1/20 0.44

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
SCHEMBL1414575 0.93 AKR1B1 (0.76) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL29907321 0.92 AKR1B1 (0.82) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL7990867 0.92 TYMS (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.91 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30174303 0.91 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28226859 0.91 AKR1B1 (0.80) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28239678 0.90 AKR1B1 (0.72) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL5427454 0.90 AKR1B1 (0.72) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL869875 0.90 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL29423667 0.90 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 — — EP claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 — — WO claimed
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 — — EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 — — WO disclosed
Send feedback