SCHEMBL1814987

SCHEMBL1814987

O=S(=O)(O)c1ccnc(-c2ncccn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ COMT P21964 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM5C P41229 1/20 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
SCHEMBL27492088 0.83 NPC1 (0.42) KDM4EALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL27849935 0.73 ROCK1 (0.40) KDM4EALDH1A1MAPTTSHRCA1
SCHEMBL27836302 0.73 KDM4E (0.38) KDM4EALOX12TDP1ALDH1A1SMN1; SMN2
SCHEMBL27690392 0.72 KMO (0.46) —
SCHEMBL8847325 0.71 TSHR (0.42) KDM4EALOX12TDP1ALDH1A1SMN1; SMN2
SCHEMBL28776179 0.71 SORD (0.32) KDM4EALOX12
SCHEMBL29622864 0.70 KDM4E (0.50) KDM4ETDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL34548 0.70 KDM4E (0.50) KDM4ETDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL27710393 0.69 KMO (0.33) KDM4EL3MBTL1KDM5C
SCHEMBL3467794 0.69 FFAR1 (0.36) KDM4ETDP1ALDH1A1SMN1; SMN2LMNA

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-20110123877-A1 CATALYST FOR OXYGEN REDUCTION ELECTRODE AND OXYGEN REDUCTION ELECTRODE NEC CORPORATION (JP) 2011-05-26 — — US disclosed
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