SCHEMBL13769463

SCHEMBL13769463

Cc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2ncn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ P2RX3 P56373 3/20 0.48
▸ P2RX4 Q99571 3/20 0.48
▸ P2RX2 Q9UBL9 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAPDH P04406 2/20 0.45
▸ HRAS P01112 1/20 0.45
▸ P2RY11 Q96G91 2/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40

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
SCHEMBL13046082 0.91 LMNA (0.60) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13046077 0.91 LMNA (0.60) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13046087 0.91 LMNA (0.60) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13864334 0.90 LMNA (0.56) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13046095 0.88 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL14075778 0.88 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13084357 0.88 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13863569 0.88 LMNA (0.75) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL13863571 0.88 LMNA (0.55) LMNAP2RX3P2RX4P2RX2MEN1
SCHEMBL14075777 0.88 LMNA (0.55) LMNAP2RX3P2RX4P2RX2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140212916-A1 RAPID TEST FOR DETECTION OF INFECTION AND THERAPEUTIC RESPONSE STC.UNM 2014-07-31 — — US disclosed
WO-2009087066-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-07-16 — — WO disclosed
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