SCHEMBL16349579

SCHEMBL16349579

N#Cc1ncn([C@@H]2O[C@H](O)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ P2RX3 P56373 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ ELANE P08246 2/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL12150465 0.89 PTPN1 (0.41) KMT2AMEN1USP2POLBCA1
SCHEMBL12150506 0.89 KMT2A (0.37) KMT2AMEN1USP2POLBCA1
SCHEMBL13633941 0.89 PTPN1 (0.41) KMT2AMEN1USP2POLBCA1
SCHEMBL12150509 0.87 POLB (0.44) KMT2AMEN1USP2POLBCA1
SCHEMBL13530678 0.87 POLB (0.44) KMT2AMEN1USP2POLBCA1
SCHEMBL12300354 0.83 CA1 (0.42) KMT2AMEN1USP2POLBCA1
SCHEMBL16349580 0.82 BCHE (0.42) PTPN1
SCHEMBL14071885 0.82 CA1 (0.36) KMT2AMEN1USP2POLBCA1
SCHEMBL12746702 0.80 CA1 (0.37) KMT2AMEN1USP2POLBCA1
SCHEMBL12150462 0.78 CA1 (0.33) KMT2AMEN1USP2POLBCA1

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-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
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