SCHEMBL8589869

SCHEMBL8589869

O=S(=O)(c1ccc2ccccc2c1)N1CCc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
CYP3A4 P08684 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
POLB P06746 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
MCOLN3 Q8TDD5 2/20 0.61
TSHR P16473 1/20 0.61
AKR1C3 P42330 3/20 0.60
AKR1C1 Q04828 1/20 0.60
PKM P14618 3/20 0.58
MAPK1 P28482 1/20 0.58
HSD11B1 P28845 1/20 0.58

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
SCHEMBL3287776 0.84 AKR1C3 (0.66) AKR1C3AKR1C1
SCHEMBL6445534 0.81 MEN1 (0.78) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL693455 0.81 KMT2A (1.00) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL1264512 0.81 HDAC6 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL18134604 0.81 MCOLN3 (0.83) MEN1KMT2ASMN1; SMN2MCOLN3TSHR
SCHEMBL12655865 0.80 MCOLN3 (0.71) MEN1KMT2ASMN1; SMN2MCOLN3TSHR
SCHEMBL21067983 0.79 KMT2A (0.82) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL13302259 0.79 KMT2A (0.77) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL29941108 0.79 KMT2A (0.82) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL20389408 0.79 KMT2A (0.77) MEN1KMT2ACYP3A4CYP2C19SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 WO disclosed