SCHEMBL2759979

SCHEMBL2759979

Nc1nc2cccc(OCC=O)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ CTSS P25774 3/20 0.38
▸ CTSK P43235 3/20 0.38
▸ CTSL P07711 2/20 0.38
▸ QTRT1 Q9BXR0 1/20 0.38
▸ NCF1 P14598 6/20 0.35
▸ CYBB P04839 2/20 0.35
▸ TYMS P04818 2/20 0.33
▸ ATP4A P20648 1/20 0.33
▸ ATP4B P51164 1/20 0.33
▸ NOX5 Q96PH1 1/20 0.33
▸ PNP P00491 2/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ XDH P47989 1/20 0.32

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
SCHEMBL2735452 0.81 TLR8 (0.46) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL14222963 0.79 KDM4E (0.49) MEN1ALDH1A1KMT2AQTRT1
SCHEMBL24834182 0.76 DCPS (0.47) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL31723877 0.76 DCPS (0.47) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL11176787 0.74 MEN1 (0.40) MASP2MEN1ALDH1A1NUDT1KMT2A
Hydrochloric Acid SCHEMBL214354 0.72 DDB1 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL13058006 0.72 MEN1 (0.44) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL30095152 0.72 KMT2A (0.39) MASP2MEN1ALDH1A1NUDT1KMT2A
SCHEMBL6015868 0.70 DCPS (0.46) —
SCHEMBL14365376 0.69 MEN1 (0.44) MASP2MEN1ALDH1A1NUDT1KMT2A

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 — — US disclosed
Send feedback