SCHEMBL20059148

SCHEMBL20059148

CC1(C)C[C@@H](COC(=O)c2ccccc2)OC1c1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ TNK2 Q07912 4/20 0.37
▸ DOT1L Q8TEK3 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RIPK1 Q13546 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ POLRMT O00411 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA5 P30532 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 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
SCHEMBL24791271 0.91 NPC1 (0.37) NPC1TNK2DOT1LALDH1A1RIPK1
SCHEMBL24606380 0.82 NPC1 (0.38) NPC1DOT1LRIPK1CHRNB2CHRNA5
SCHEMBL16480684 0.79 ALDH1A1 (0.38) DOT1LALDH1A1RIPK1POLRMTPOLB
SCHEMBL10187245 0.79 NPC1 (0.36) NPC1TNK2ALDH1A1BACE1CHRNB2
SCHEMBL881460 0.79 ALDH1A1 (0.38) DOT1LALDH1A1RIPK1POLRMTPOLB
SCHEMBL10187389 0.78 NPC1 (0.39) NPC1TNK2ALDH1A1RIPK1BACE1
SCHEMBL26229753 0.77 POLRMT (0.47) TNK2DOT1LRIPK1POLRMT
SCHEMBL17129844 0.77 ALDH1A1 (0.36) TNK2DOT1LALDH1A1RIPK1POLRMT
SCHEMBL16480685 0.76 MEN1 (0.46) DOT1LALDH1A1RIPK1POLRMTPOLB
SCHEMBL882318 0.76 MEN1 (0.46) DOT1LALDH1A1RIPK1POLRMTPOLB

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
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
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