SCHEMBL8328341

SCHEMBL8328341

O=[N+]([O-])c1ccccc1SC1CCCCC1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KDM4A O75164 1/20 0.47
TDP2 O95551 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
PDE7A Q13946 2/20 0.42
GAA P10253 3/20 0.41
POLB P06746 3/20 0.41
HPGD P15428 3/20 0.41
MCL1 Q07820 2/20 0.41
ALOX12 P18054 2/20 0.41
BLM P54132 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 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
SCHEMBL5262117 0.80 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL31315669 0.78 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL6759187 0.78 MAPT (0.65) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL875286 0.76 MAPT (0.57) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL8028472 0.76 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL9469352 0.71 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL397345 0.68 PDE7A (0.56) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL224666 0.67 PDE7A (0.60) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL875772 0.67 PDE7A (0.78) MAPTALDH1A1MEN1KMT2AKDM4A
SCHEMBL31272173 0.67 PDE7A (0.78) MAPTALDH1A1MEN1KMT2AKDM4A

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
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
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