SCHEMBL10893391

SCHEMBL10893391

CCNc1ccc(N)cc1S(=O)(=O)NC(C)CCN(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MELK Q14680 2/20 0.36
▸ METAP2 P50579 6/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32

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
SCHEMBL10891838 0.81 SIGMAR1 (0.47) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL10895262 0.79 L3MBTL3 (0.50) GAAMETAP2ALDH1A1MAPK1
SCHEMBL10893396 0.78 L3MBTL3 (0.46) MELKMETAP2ALDH1A1MAPK1
SCHEMBL10894194 0.76 SERPINE1 (0.36) GAAMAPTLMNAALDH1A1L3MBTL1
SCHEMBL10889054 0.72 METAP2 (0.45) GAAMAPTMELKMETAP2LMNA
SCHEMBL9750234 0.72 L3MBTL1 (0.39) GAAMAPTCA12CA2CA9
SCHEMBL10894580 0.71 CHEK1 (0.45) MAPTMETAP2CA2CA9LMNA
SCHEMBL10894158 0.70 GAA (0.50) GAASMN1; SMN2CA12CA2CA9
SCHEMBL9083398 0.70 RAPGEF4 (0.59) GAAMAPTLMNAALDH1A1L3MBTL1
SCHEMBL10893133 0.69 SIGMAR1 (0.48) LMNAALDH1A1SLC22A2SLC22A1TSHR

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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