SCHEMBL8469629

SCHEMBL8469629

C=CCSc1c(N)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 7/20 0.38
NR4A2 P43354 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 2/20 0.34
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SOD1 P00441 1/20 0.33
CYP3A4 P08684 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL8508201 0.79 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AALOX15HPGD
SCHEMBL3790582 0.76 ALDH1A1 (0.47) TSHRALDH1A1NR4A2MEN1KMT2A
SCHEMBL19631178 0.76 TSHR (0.43) TSHRALDH1A1NR4A2MEN1KMT2A
SCHEMBL28483242 0.75 CYP2A6 (0.46) ALDH1A1MEN1KMT2AALOX15HPGD
SCHEMBL8462873 0.72 ALDH1A1 (0.44) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL5636326 0.71 TSHR (0.39) TSHRALDH1A1NR4A2MEN1KMT2A
SCHEMBL2002259 0.71 POLB (0.56) TSHRALDH1A1NR4A2ALOX15L3MBTL1
SCHEMBL1082915 0.71 MEN1 (0.69) TSHRALDH1A1MEN1KMT2AALOX15
SCHEMBL11398854 0.70 MEN1 (0.52) TSHRALDH1A1MEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL4764352 0.70 TSHR (0.38) TSHRALDH1A1NR4A2MEN1KMT2A

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 8 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
JP-9143152-A None JP 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
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
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
JP-H09143152-A PRODUCTION OF 2-AMINO-6-CHLOROPHENYL-ALKYLSULFANE AND 2-AMINO-6-CHLOROPHENYL-ISOPROPYLSULFANE BAYER AG 1997-06-03 JP disclosed
EP-0775693-A1 Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfides and 2-amino-6-chlorophenyl-isopropylsulfide BAYER AG (DE) 1997-05-28 EP disclosed
EP-0775693-A1 Process for the preparation of 2-amino-6-chlorophenyl-alkylsulfides and 2-amino-6-chlorophenyl-isopropylsulfide BAYER AG (DE) 1997-05-28 EP disclosed