SCHEMBL19488646

SCHEMBL19488646

CCCNCc1nc2cc(-c3ncc(-c4ccc(C)c(NC(=O)CN(CCC)C(=O)[C@H](NC(=O)OC)c5ccccc5)c4)o3)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.34
▸ TP53 P04637 5/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ THRB P10828 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PIN1 Q13526 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.31

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
SCHEMBL19488649 0.91 MAPT (0.33) MAPTTP53KDM4EALDH1A1THRB
SCHEMBL19488879 0.90 MAPT (0.33) MAPTTP53KDM4EALDH1A1THRB
SCHEMBL19488857 0.89 MAPT (0.34) MAPTTP53KDM4EALDH1A1THRB
SCHEMBL19488652 0.84 KDM4E (0.38) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL19488325 0.76 MAPT (0.34) MAPTTP53KDM4EALDH1A1THRB
SCHEMBL19488877 0.74 — —
SCHEMBL19488884 0.73 ALDH1A1 (0.39) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL19488545 0.73 DHODH (0.36) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL19488335 0.72 DHODH (0.32) MAPTTP53KDM4ETHRBSMN1; SMN2
SCHEMBL19488331 0.71 KDM4E (0.33) MAPTTP53KDM4EALDH1A1SMN1; SMN2

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-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
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