SCHEMBL10171930

SCHEMBL10171930

C[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC1(O)c1cnc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ P2RX3 P56373 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX2 Q9UBL9 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HRAS P01112 1/20 0.34
▸ ENPP1 P22413 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL20058768 0.87 MAPT (0.40) MAPTPOLBMEN1USP2KMT2A
SCHEMBL881707 0.85 P2RY11 (0.39) MAPTPOLBMEN1USP2KMT2A
SCHEMBL24791256 0.83 NPC1 (0.39) POLBMEN1KMT2AALDH1A1EGFR
SCHEMBL24917290 0.80 MAPT (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL881416 0.80 MAPT (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL882455 0.79 MAPT (0.39) MAPTPOLBMEN1USP2KMT2A
SCHEMBL881488 0.79 MEN1 (0.47) POLBMEN1USP2KMT2AP2RX3
SCHEMBL18214662 0.77 MAPT (0.40) MAPTPOLBMEN1USP2KMT2A
SCHEMBL18697570 0.77 MAPT (0.41) MAPTPOLBMEN1USP2KMT2A
SCHEMBL882017 0.76 TMPRSS2 (0.39) MAPTPOLBMEN1USP2KMT2A

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
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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