SCHEMBL10065848

SCHEMBL10065848

NCCCSC(SCCCS)=C1c2ccccc2N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
ALDH3A1 P30838 3/20 0.38
ALDH2 P05091 1/20 0.38
CHRM1 P11229 1/20 0.38
CES1 P23141 1/20 0.38
PRKAG1 P54619 4/20 0.38
PRKAA2 P54646 4/20 0.38
PRKAB1 Q9Y478 4/20 0.38
MAPT P10636 4/20 0.34
PKM P14618 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL2608513 0.88 ALDH1A1 (0.38) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL13911562 0.88 ALDH1A1 (0.40) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL13170509 0.83 PRKAG1 (0.35) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL13188568 0.82 KCNH2 (0.42) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL13007441 0.81 ALDH1A1 (0.40) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL16705069 0.81 KCNH2 (0.40) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL12716323 0.76 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL12316234 0.76 KCNH2 (0.35) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL16705068 0.76 POLB (0.34) ALDH1A1ALDH3A1ALDH2CHRM1CES1
SCHEMBL12746321 0.74 MAPT (0.33) ALDH1A1ALDH3A1ALDH2CHRM1CES1

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-20120094313-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2012-04-19 US disclosed
US-20110269156-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2011-11-03 US disclosed