SCHEMBL882318

SCHEMBL882318

C[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GAPDH P04406 2/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 1/20 0.38
▸ P2RX2 Q9UBL9 1/20 0.38
▸ HRAS P01112 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ DOT1L Q8TEK3 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ POLRMT O00411 1/20 0.34

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
SCHEMBL16480685 1.00 MEN1 (0.46) MEN1USP2POLBKMT2ACA1
SCHEMBL881488 0.87 MEN1 (0.47) MEN1USP2POLBKMT2ACA1
SCHEMBL881460 0.80 ALDH1A1 (0.38) MEN1USP2POLBKMT2ACA1
SCHEMBL16480684 0.80 ALDH1A1 (0.38) MEN1USP2POLBKMT2AGAPDH
SCHEMBL20058768 0.78 MAPT (0.40) MEN1USP2POLBKMT2ACA1
SCHEMBL17129844 0.78 ALDH1A1 (0.36) MEN1USP2POLBKMT2AGAPDH
SCHEMBL24606380 0.76 NPC1 (0.38) MEN1KMT2ARIPK1DOT1L
SCHEMBL26240623 0.76 POLRMT (0.36) MEN1USP2POLBKMT2ARIPK1
SCHEMBL882017 0.76 TMPRSS2 (0.39) MEN1USP2POLBKMT2ACA1
SCHEMBL20059148 0.76 NPC1 (0.38) POLBALDH1A1RIPK1DOT1LPOLRMT

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-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
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