SCHEMBL7125745

SCHEMBL7125745

O=C(c1ccc(Cl)cc1)C1CCCCN1S(=O)(=O)c1[c]cccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
FKBP1A P62942 2/20 0.43
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 2/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7076497 0.75 FKBP1A (0.46) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL7077516 0.73 HTT (0.42) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL7077521 0.72 POLB (0.46) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL29316045 0.72 ALDH1A1 (0.59) ALDH1A1FKBP1AHTTNPSR1SMN1; SMN2
SCHEMBL29317054 0.72 ALDH1A1 (0.59) ALDH1A1FKBP1AHTTNPSR1SMN1; SMN2
SCHEMBL11022250 0.68 PSEN1 (0.56) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3717708 0.67 ALDH1A1 (0.71) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL3710420 0.67 ALDH1A1 (0.71) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL7125741 0.67 MGLL (0.43) ALDH1A1NPSR1MGLLMAPTMEN1
SCHEMBL6003121 0.67 TSHR (0.53) ALDH1A1NPSR1SMN1; SMN2MAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO claimed