SCHEMBL155289

SCHEMBL155289

Nc1ccc(C2CCCC2)c(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.44
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 4/20 0.42
RECQL P46063 3/20 0.42
CASP6 P55212 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NSD2 O96028 2/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELAVL1 Q15717 1/20 0.40
NT5E P21589 3/20 0.37

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
SCHEMBL156690 0.98 RAPGEF4 (0.43) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL155408 0.93 RAPGEF4 (0.46) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL155733 0.87 RAPGEF4 (0.41) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL156786 0.85 RAPGEF4 (0.40) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL155288 0.80 CEL (0.37) ALDH1A1POLBMEN1KMT2AKMO
SCHEMBL10785907 0.80 LMNA (0.41) TDP1KDM4EPOLBMAPTL3MBTL1
SCHEMBL2611706 0.80 KMO (0.49) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL16712201 0.79 RAPGEF4 (0.42) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL156689 0.79 CEL (0.38) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL11612361 0.77 MEN1 (0.40) RAPGEF4ALDH1A1TDP1RECQLCASP6

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
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed