SCHEMBL11219749

SCHEMBL11219749

OCCNc1nc(O)nc(S)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RECQL P46063 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SLC29A1 Q99808 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 3/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KCNH3 Q9ULD8 1/20 0.34
▸ CCNA2 P20248 2/20 0.33

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
SCHEMBL8980538 0.87 KMT2A (0.50) KMT2AGAAMAPK1MEN1RECQL
SCHEMBL31087501 0.79 SLC29A1 (0.46) KMT2AMAPK1MEN1SLC29A1KDM4E
SCHEMBL32679516 0.78 SLC29A1 (0.45) KMT2AMAPK1MEN1SLC29A1KDM4E
SCHEMBL1032510 0.75 KMT2A (0.60) KMT2AGAAMAPK1MEN1RECQL
SCHEMBL5663998 0.68 GAA (0.40) KMT2AGAAMAPK1MEN1RECQL
SCHEMBL14380953 0.67 KMT2A (0.52) KMT2AGAAMAPK1MEN1RECQL
SCHEMBL13651851 0.67 — —
SCHEMBL594806 0.67 — —
SCHEMBL94292 0.67 — —
Diethanolamine SCHEMBL7128528 0.66 HTR1D (0.32) KMT2AGAAMAPK1MEN1KDM4E

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
US-4322214-A USING A SULFUR OR SULFURIZED VAT DYE IN AN ALKALINE BATH CONTAINING A MERCAPTO COMPOUND AND A SULFITE SALT; LEVELING ASAHI CHEMICAL COMPANY LIMITED (JP) 1982-03-30 — — US disclosed
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