SCHEMBL16183136

SCHEMBL16183136

CCn1c2ccccc2c2cc(/C=C/c3ccc4cc(CO)ccc4[n+]3C)ccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.76
▸ BCHE P06276 4/20 0.76
▸ POLB P06746 5/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ HTT P42858 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ SRC P12931 4/20 0.43
▸ LMNA P02545 5/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ APP P05067 2/20 0.41
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL29389253 0.87 ACHE (0.98) ACHEBCHEPOLBKDM4EHTT
SCHEMBL20380843 0.87 ACHE (0.98) ACHEBCHEPOLBKDM4EHTT
SCHEMBL85408 0.75 KDM4E (0.68) ACHEBCHEPOLBKDM4EHTT
SCHEMBL3443606 0.75 KDM4E (0.68) ACHEBCHEPOLBKDM4EHTT
SCHEMBL29357702 0.75 KDM4E (0.68) ACHEBCHEPOLBKDM4EHTT
SCHEMBL29415213 0.75 KDM4E (0.68) ACHEBCHEPOLBKDM4EHTT
SCHEMBL4849333 0.75 KDM4E (0.67) POLBKDM4EHTTPKMLMNA
SCHEMBL10013256 0.74 KDM4E (0.67) ACHEBCHEPOLBKDM4EHTT
SCHEMBL133177 0.72 KDM4E (0.65) ACHEBCHEPOLBKDM4EHTT
SCHEMBL133176 0.72 KDM4E (0.65) ACHEBCHEPOLBKDM4EHTT

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-10024863-B2 Methods for dye selection for protein melt temperature determinations Life Technologies Corporation (US) 2018-07-17 — — US disclosed
US-20140315190-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2014-10-23 — — US disclosed
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