SCHEMBL3980437

SCHEMBL3980437

Nc1nc2ncc(CNC3=CCC(C(=O)O)CC3)nc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TYMS P04818 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NOS1 P29475 9/20 0.45
▸ DHFR P00374 1/20 0.41
▸ ADORA3 P0DMS8 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
SCHEMBL2906514 0.84 TYMS (0.62) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL15531651 0.84 AKR1B1 (0.48) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL2509297 0.83 NOS1 (0.46) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL2905540 0.82 AKR1B1 (0.50) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL15263068 0.81 AKR1B1 (0.49) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL10891557 0.79 AKR1B1 (0.43) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL609951 0.78 AKR1B1 (0.49) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL16058737 0.78 AKR1B1 (0.49) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL851772 0.74 NOS1 (0.47) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL7757815 0.73 NOS1 (0.43) AKR1B1HSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324736-B1 RAPID ANTIBIOTIC SUSCEPTIBILITY TEST NAKANE DIAGNOSTICS INC (US) 2009-05-13 — — EP claimed
CN-114957257-B Preparation method of 5-methyltetrahydrofolate calcium 河北冀衡药业股份有限公司 2024-11-01 — — CN disclosed
CN-114957257-A Preparation method of calcium 5-methyltetrahydrofolate 河北冀衡药业股份有限公司 2022-08-30 — — CN disclosed
CN-105524066-B (6S) 5 methyl tetrahydrofolate or its salt composite and its preparation and application 连云港金康和信药业有限公司 2017-06-27 — — CN disclosed
US-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 — — US disclosed
EP-0745673-A2 Catalytic antibody regulated prodrug therapy ZENECA LIMITED (GB) 1996-12-04 — — EP disclosed
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