SCHEMBL2612416

SCHEMBL2612416

S=C(SCCCS)C1c2ccccc2N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
TSHR P16473 1/20 0.33
EP300 Q09472 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 1/20 0.31
CHRM1 P11229 1/20 0.31
CES1 P23141 1/20 0.31
ALDH3A1 P30838 1/20 0.31
F2 P00734 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
SCHEMBL2608497 0.83 RXFP1 (0.35) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL2608501 0.79 P2RX1 (0.40) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL3859755 0.70 RXFP1 (0.49) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL13911562 0.70 ALDH1A1 (0.40) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL10065848 0.68 ALDH1A1 (0.38) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL2873764 0.66 HDAC4 (0.60) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL1868600 0.65 RXFP1 (0.49) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL2870534 0.65 CACNA1G (0.48) RXFP1CACNA1GCACNA1HCACNA1IKMT2A
SCHEMBL31310490 0.63 RXFP1 (0.63) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL29385257 0.62 MEN1 (0.61) CACNA1GCACNA1HCACNA1IKMT2AMEN1

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 6 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-8012705-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2011-09-06 US disclosed
US-20110183361-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2011-07-28 US disclosed
US-20100190271-A1 METHODS USING NOVEL CHEMILUMINESCENT LABELS LUMIGEN, INC. (US) 2010-07-29 US disclosed
US-20100173429-A1 METHODS USING NOVEL CHEMILUMINESCENT LABELS LUMIGEN, INC. (US) 2010-07-08 US disclosed
US-7682839-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2010-03-23 US disclosed