SCHEMBL10416510

SCHEMBL10416510

Nc1c(Cl)cc(C(O)CNC(=O)CCCCCOCCc2ccccn2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.47
▸ HTT P42858 2/20 0.43
▸ ASAH1 Q13510 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL10416913 0.85 SLC2A1 (0.57) SLC2A1KDM4ECYP1A2CYP3A4CYP2C9
Picumeterol SCHEMBL156907 0.85 SLC2A1 (0.57) SLC2A1KDM4ECYP1A2CYP3A4CYP2C9
Picumeterol SCHEMBL83175 0.85 SLC2A1 (0.57) SLC2A1KDM4ECYP1A2CYP3A4CYP2C9
Picumeterol SCHEMBL9857897 0.85 SLC2A1 (0.57) SLC2A1KDM4ECYP1A2CYP3A4CYP2C9
Picumeterol SCHEMBL29414334 0.85 SLC2A1 (0.57) SLC2A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2170810 0.84 SLC2A1 (0.44) SLC2A1HTTSMN1; SMN2ALDH1A1PKM
SCHEMBL10391329 0.84 SLC2A1 (0.57) SLC2A1KDM4ECYP1A2CYP3A4CYP2C9
Picumeterol SCHEMBL666136 0.82 SLC2A1 (0.68) SLC2A1SMN1; SMN2ALDH1A1KDM4ECYP1A2
Picumeterol SCHEMBL9858096 0.82 SLC2A1 (0.68) SLC2A1SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL10417923 0.82 SLC2A1 (0.43) SLC2A1KDM4ECYP3A4ADRB2ADRB1

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-4937251-A TREATING ASTHMA AND BRONCHITIS; ADRENERGIC STIMULANTS GLAXO GROUP LIMITED (GB) 1990-06-26 — — US disclosed
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