SCHEMBL5807988

SCHEMBL5807988

COc1ccc(S(=O)(=O)CCNCCCN2CCC(C)CC2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ABCB1 P08183 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
SCHEMBL5807990 0.80 ADRA1A (0.46) ADRA1AADRA1BKDM4ESMN1; SMN2POLB
SCHEMBL5805526 0.77 POLB (0.55) KDM4ESMN1; SMN2POLBMAPTALDH1A1
SCHEMBL5807986 0.74 HTR7 (0.54) MAPTALDH1A1
SCHEMBL5809559 0.74 NPSR1 (0.47) SMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL10537197 0.72 ABCB1 (0.65) KDM4ESMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5809102 0.70 HTR7 (0.73) ADRA1BSMN1; SMN2
SCHEMBL10540767 0.68 KMT2A (0.64) ADRA1AKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL10682426 0.68 KMT2A (0.55) SMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL30462840 0.68 KDM4E (0.72) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL29038435 0.68 KDM4E (0.72) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1

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
WO-2006101828-A1 INSECTICIDAL ALKYLAMINO PHENYL SULFONAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-09-28 — — WO disclosed
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