SCHEMBL5455258

SCHEMBL5455258

CCCCCCCCCCCCOc1ccc(C(C#N)=Cc2cc(OC)c(C=C(C#N)c3ccc(OCCCCCCCCCCCC)cc3)cc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 2/20 0.48
▸ NQO1 P15559 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PLA2G4B P0C869 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ NR5A1 Q13285 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5443347 1.00 NQO2 (0.48) NQO2NQO1MAPTMEN1KMT2A
SCHEMBL28686988 0.93 NQO2 (0.49) NQO2NQO1MAPTLMNAL3MBTL1
SCHEMBL14432740 0.91 NQO2 (0.48) NQO2NQO1MAPTMEN1KMT2A
SCHEMBL31570116 0.89 MAPT (0.51) NQO2NQO1MAPTMEN1KMT2A
SCHEMBL5447129 0.83 TDP1 (0.45) NQO2NQO1PLA2G4BTP53TSHR
SCHEMBL5447123 0.83 TDP1 (0.45) NQO2NQO1PLA2G4BTP53TSHR
SCHEMBL11659236 0.83 NQO2 (0.58) NQO2NQO1MAPTL3MBTL1NPSR1
SCHEMBL11658879 0.83 NQO2 (0.58) NQO2NQO1MAPTL3MBTL1NPSR1
SCHEMBL11656786 0.82 TP53 (0.52) NQO2MAPTLMNAPLA2G4BTP53
SCHEMBL11660429 0.82 TP53 (0.52) NQO2MAPTLMNAPLA2G4BTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070158624-A1 Time-temperature indicators NATIONAL SCIENCE FOUNDATION 2007-07-12 — — US claimed
US-20070158624-A1 Time-temperature indicators NATIONAL SCIENCE FOUNDATION 2007-07-12 — — US disclosed
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