SCHEMBL8324749

SCHEMBL8324749

O=[N+]([O-])c1ccccc1SCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 1/20 0.50
PDE7A Q13946 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CRBN Q96SW2 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
ALPG P10696 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APOBEC3G Q9HC16 2/20 0.43
PKM P14618 1/20 0.43
KDM4A O75164 1/20 0.43
TDP2 O95551 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
POLB P06746 1/20 0.42
APOBEC3A P31941 1/20 0.42

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
SCHEMBL7458037 0.82 CA2 (0.57) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL7764834 0.82 MEN1 (0.50) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL7293883 0.79 PDE7A (0.53) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL8973221 0.79 PTGS2 (0.49) ALDH1A1PDE7ASMN1; SMN2CRBNMEN1
SCHEMBL1347642 0.78 PTGS2 (0.49) ALDH1A1PDE7ASMN1; SMN2CRBNMEN1
SCHEMBL8941933 0.78 ALDH1A1 (0.67) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL7293896 0.78 PDE7A (0.51) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL18614898 0.78 PDE7A (0.51) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL11270647 0.78 PDE7A (0.51) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN
SCHEMBL3386571 0.78 MEN1 (0.53) ALDH1A1TSHRPDE7ASMN1; SMN2CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872300-A Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfanes, and 2-amino-6-chlorophenyl-isopropylsulfane BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US claimed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
WO-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed
US-5872300-A Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfanes, and 2-amino-6-chlorophenyl-isopropylsulfane BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 US disclosed