SCHEMBL11701352

SCHEMBL11701352

CC(N)Cc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 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
RECQL P46063 2/20 0.42
CASP6 P55212 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELAVL1 Q15717 1/20 0.42
NSD2 O96028 1/20 0.41
APEX1 P27695 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HSD17B10 Q99714 2/20 0.39
NT5E P21589 3/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL157484 0.89 RAPGEF4 (0.44) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL157161 0.81 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL6427620 0.79 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL9628291 0.79 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL29399463 0.79 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL29963180 0.79 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1KDM4EPOLB
Ammonia Solution, Strong SCHEMBL7550166 0.78 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL26895312 0.78 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL7718118 0.78 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1KDM4EPOLB
SCHEMBL10799496 0.77 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1KDM4EPOLB

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-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed