SCHEMBL10893396

SCHEMBL10893396

CCNc1ccc(N)cc1S(=O)(=O)NCCCCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ USP2 O75604 1/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ METAP2 P50579 3/20 0.38
▸ MELK Q14680 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ ALOX15 P16050 1/20 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
SCHEMBL10895262 0.96 L3MBTL3 (0.50) L3MBTL3USP2PDK1PDK2PDK3
SCHEMBL10891838 0.91 SIGMAR1 (0.47) L3MBTL3SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL10894158 0.85 GAA (0.50) L3MBTL3PDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL10894674 0.84 GAA (0.49) L3MBTL3PDK1PDK2PDK3PDK4
SCHEMBL10889640 0.83 CA12 (0.39) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL11013279 0.82 L3MBTL3 (0.49) L3MBTL3USP2PDK1PDK2PDK3
SCHEMBL10889586 0.81 CA12 (0.43) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10889054 0.81 METAP2 (0.45) L3MBTL3USP2PDK1PDK2PDK3
SCHEMBL10893133 0.80 SIGMAR1 (0.48) L3MBTL3SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL10893391 0.78 GAA (0.36) ALDH1A1METAP2MELKMAPK1

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
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