SCHEMBL10891785

SCHEMBL10891785

CNc1ccc(N)cc1S(=O)(=O)N(C)CCN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ GAA P10253 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CASP6 P55212 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ELAVL1 Q15717 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTR6 P50406 2/20 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
SCHEMBL10892420 0.79 CYP2C9 (0.47) RAPGEF4GAAALDH1A1POLBRECQL
SCHEMBL10891189 0.77 GAA (0.52) GAAALDH1A1POLBRECQLKMT2A
SCHEMBL10892269 0.72 SMN1; SMN2 (0.48) RAPGEF4GAAMAPTL3MBTL1KDM4E
SCHEMBL343355 0.72 RAPGEF4 (0.65) RAPGEF4GAAMAPTL3MBTL1KDM4E
SCHEMBL10635283 0.72 RAPGEF4 (0.44) RAPGEF4GAAMAPTL3MBTL1KDM4E
SCHEMBL5856927 0.72 HDAC4 (0.47) GAAALDH1A1TDP1KMT2AHTR6
SCHEMBL14574205 0.70 LMNA (0.50) ALDH1A1POLBTDP1KMT2AHSD17B10
SCHEMBL10894138 0.69 SMN1; SMN2 (0.46) GAAL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL12004944 0.69 TAAR1 (0.37) GAAMAPTHTR6
Hydrochloric Acid SCHEMBL10889858 0.69 SMN1; SMN2 (0.45) GAAMAPTL3MBTL1KDM4EALDH1A1

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-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 — — US disclosed
EP-0148390-A2 Basic triphendioxazine dyes, their manufacture and their use BAYER AG (DE) 1985-07-17 — — EP disclosed
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