SCHEMBL7683620

SCHEMBL7683620

Nc1nc(=O)c2ncc(C=O)nc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ AKR1B1 P15121 7/20 0.34
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PNP P00491 1/20 0.30
▸ NOS1 P29475 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
SCHEMBL398502 0.87 KDM4E (0.38) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL7682920 0.77 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL4297911 0.75 KDM4E (0.46) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL7683616 0.74 AKR1B1 (0.57) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL4816470 0.73 KDM4E (0.44) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL7677673 0.73 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL7677720 0.73 AKR1B1 (0.60) KDM4EALDH1A1HSD17B10LMNAGLA
Pterine SCHEMBL64321 0.72 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL29357615 0.71 NOS1 (0.55) KDM4EALDH1A1HSD17B10LMNAGLA
SCHEMBL398501 0.71 NOS1 (0.55) KDM4EALDH1A1HSD17B10LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358953-B1 ADMINISTERING PTERIN METAL COMPLEX AS ANTICARCINOGENIC AGENTS AND VIRICIDES Moheno, Phillip B. B. 2002-03-19 — — US disclosed
EP-1123294-A1 NOVEL PTERIN ANTINEOPLASTIC AGENTS Moheno, Phillip B. B. (US) 2001-08-16 — — EP disclosed
WO-2000023448-A1 NOVEL PTERIN ANTINEOPLASTIC AGENTS MOHENO PHILLIP B B (US) 2000-04-27 — — WO disclosed
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