SCHEMBL10890812

SCHEMBL10890812

CCCNc1ccc(N)cc1S(=O)(=O)NCCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
SFRP1 Q8N474 1/20 0.46
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
CA1 P00915 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
METAP2 P50579 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL10894742 0.94 GAA (0.52) GAASFRP1CA12CA2CA9
SCHEMBL10894158 0.91 GAA (0.50) GAASFRP1CA12CA2CA9
Hydrochloric Acid SCHEMBL10894674 0.90 GAA (0.49) GAASFRP1CA12CA2CA9
SCHEMBL10891189 0.86 GAA (0.52) GAASFRP1CA12CA2CA9
SCHEMBL10894845 0.85 CYP2D6 (0.47) GAASFRP1CA12CA2CA9
SCHEMBL10891736 0.84 SMN1; SMN2 (0.47) GAASFRP1CA12CA2CA9
SCHEMBL10894896 0.82 GAA (0.56) GAASFRP1CA12CA2CA9
SCHEMBL10893276 0.81 METAP2 (0.41) GAASFRP1CA12CA2CA9
SCHEMBL10892465 0.81 SMN1; SMN2 (0.55) GAACA12CA2CA9ALOX15
SCHEMBL10895262 0.81 L3MBTL3 (0.50) GAAALDH1A1L3MBTL3METAP2PDK1

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-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed