SCHEMBL10894767

SCHEMBL10894767

CCN(CC)S(=O)(=O)c1cc(N)ccc1NCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ METAP2 P50579 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL10897197 0.89 ALDH1A1 (0.48) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL10891503 0.85 CA1 (0.53) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL10902226 0.83 KMT2A (0.53) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL10904969 0.80 KMT2A (0.51) POLBKMT2ANPSR1
SCHEMBL10892360 0.80 ALDH1A1 (0.45) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL10894138 0.78 SMN1; SMN2 (0.46) GAAALDH1A1SMN1; SMN2KDM4ECA12
Hydrochloric Acid SCHEMBL10889858 0.77 SMN1; SMN2 (0.45) GAAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL10902421 0.75 KMT2A (0.53) POLBKMT2ANPSR1
SCHEMBL16583870 0.75 ALDH1A1 (0.53) GAAALDH1A1POLBMAPTPKM
SCHEMBL9878469 0.74 KMT2A (0.42) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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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