SCHEMBL7158740

SCHEMBL7158740

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.41
▸ P2RY12 Q9H244 5/20 0.41
▸ LMNA P02545 1/20 0.41
▸ P2RX3 P56373 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ P2RY6 Q15077 1/20 0.39
▸ DNPH1 O43598 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL15445650 0.87 PRMT6 (0.44) PRMT6P2RY12LMNAP2RX3P2RX4
SCHEMBL22915758 0.80 PRMT6 (0.47) PRMT6P2RY12LMNAP2RY2P2RY1
SCHEMBL7162786 0.80 TAS1R3 (0.47) —
SCHEMBL24649458 0.79 PRMT6 (0.47) PRMT6P2RY12LMNAP2RY2P2RY1
SCHEMBL14853777 0.78 LMNA (0.42) PRMT6P2RY12LMNAP2RX3P2RX4
SCHEMBL14405904 0.78 LMNA (0.42) PRMT6P2RY12LMNAP2RX3P2RX4
SCHEMBL2511608 0.78 LMNA (0.42) PRMT6P2RY12LMNAP2RX3P2RX4
SCHEMBL22983997 0.78 P2RX3 (0.59) PRMT6P2RY12LMNAP2RX3P2RX4
SCHEMBL13902897 0.76 P2RY12 (0.64) P2RY12LMNAP2RX3P2RX4P2RX2
SCHEMBL14394700 0.76 P2RY12 (0.64) P2RY12LMNAP2RX3P2RX4P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747389-B1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2003-09-10 — — EP disclosed
US-RE38090-E1 Antitumor activity; useful for treatment and prevention of cancers Matsuda, Akira (JP) 2003-04-22 — — US disclosed
EP-0747389-A1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 — — EP disclosed
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