SCHEMBL8966732

SCHEMBL8966732

OCCc1ccccc1N(S)CCO

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1A P08908 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3864995 0.82 MEN1 (0.46) PTPN1TDP1MEN1PABPC1KMT2A
SCHEMBL4495007 0.76 PTPN1 (0.41) PTPN1TDP1MEN1PABPC1KMT2A
SCHEMBL249636 0.75 PTPN1 (0.47) PTPN1TDP1SMN1; SMN2
SCHEMBL15573965 0.74 PTPN1 (0.40) PTPN1TDP1MEN1PABPC1KMT2A
SCHEMBL28431237 0.73 HTT (0.44) PTPN1TDP1MEN1PABPC1KMT2A
SCHEMBL31203 0.72 TDP1 (0.55) PTPN1TDP1
SCHEMBL29534868 0.72 TDP1 (0.55) PTPN1TDP1
SCHEMBL18569445 0.72 PTPN1 (0.45) PTPN1TDP1HTR1ASMN1; SMN2
SCHEMBL17374923 0.72 PTPN1 (0.48) PTPN1TDP1MEN1PABPC1KMT2A
SCHEMBL28924349 0.71 PTPN1 (0.48) PTPN1TDP1MEN1PABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601406-B1 Method for the preparation of (5-amino-2-(2-hydroxyethylamino)phenyl)(2-hydroxyethyl) sulphone BAYER AG (DE) 1996-02-28 EP claimed
US-5414131-A Process for preparing [5-amino-2-(2-hydroxyethylamino)-phenyl](2-hydroxyethyl)sulphone BAYER AKTIENGESELLSCHAFT (DE) 1995-05-09 US claimed
JP-6199772-A None JP disclosed
US-5414131-A Process for preparing [5-amino-2-(2-hydroxyethylamino)-phenyl](2-hydroxyethyl)sulphone BAYER AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed
JP-H06199772-A PREPARATION OF (5-AMINO-2-(2-HYDROXY-ETHYLAMINO)-PHENYL)(2-HYDROXYETHYL)SULPHONE BAYER AG 1994-07-19 JP disclosed