SCHEMBL22046987

SCHEMBL22046987

CCn1c(SCC(=O)Nc2ccc(CCc3ccc(-c4nnc(SCC(=O)Nc5ccc(C(C)C)cc5F)n4CC)o3)cc2F)nnc1-c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ USP2 O75604 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13832297 0.90 POLB (0.64) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL13832314 0.84 POLB (0.65) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL13832324 0.79 MAPT (0.73) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL15983378 0.77 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL13831487 0.77 MEN1 (0.61) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL15986441 0.76 POLB (0.83) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL15983289 0.74 ALDH1A1 (0.62) POLBALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL13832019 0.74 ALDH1A1 (0.61) ALDH1A1KMT2ASMN1; SMN2HPGDMEN1
SCHEMBL13831078 0.74 NPSR1 (0.64) POLBALDH1A1MAPTKMT2AHPGD
SCHEMBL13831756 0.73 ALDH1A1 (0.66) POLBALDH1A1MAPTKMT2AMAPK1

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-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 — — EP disclosed
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