SCHEMBL29657492

SCHEMBL29657492

O=c1cc(NCc2cccnc2)cn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ PABPC1 P11940 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ APAF1 O14727 1/20 0.48
▸ HK1 P19367 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CLK1 P49759 4/20 0.46
▸ DYRK1A Q13627 4/20 0.46
▸ CLK4 Q9HAZ1 4/20 0.46

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
Hydrochloric Acid SCHEMBL8690556 0.99 LTA4H (0.55) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL22792280 0.75 ALDH1A1 (0.50) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL5605047 0.74 LTA4H (0.82) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL30642394 0.73 LTA4H (1.00) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL523753 0.73 LTA4H (1.00) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL22792637 0.72 LTA4H (0.61) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL22191758 0.72 LTA4H (0.61) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL4180572 0.72 LTA4H (0.61) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL13428028 0.71 LTA4H (0.65) LTA4HALDH1A1MAPTKMT2AMEN1
SCHEMBL2462206 0.70 KMT2A (0.51) LTA4HALDH1A1MAPTKMT2AMEN1

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
CN-110123820-B Arginase inhibitors and methods of use thereof 阿斯利康公司 2022-05-31 — — CN disclosed
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