SCHEMBL8914898

SCHEMBL8914898

O=C(Nc1ccc(Cl)cc1)OCC(=Cc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 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
SCHEMBL8914895 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8914893 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8916021 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL8914974 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8914970 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8914962 0.79 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8917655 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL28391110 0.75 GAA (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6376610 0.72 L3MBTL1 (0.54) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9483908 0.71 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP3A4SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637719-A PROTECTING PRIMARY OR SECONDARY AMINE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US disclosed
US-5510491-A 2-PROPENYL CHLOROFORMATE AND DERIVATIVES AS BLOCKING AGENTS FOR AMINO GROUPS OF PEPTIDES DURING PEPTIDE SYNTHESIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-04-23 US disclosed
EP-0401817-B1 Reagents for rapid peptide synthesis RES CORP TECHNOLOGIES INC (US) 1995-09-13 EP disclosed
EP-0496836-B1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS RES CORP TECHNOLOGIES INC (US) 1995-06-14 EP disclosed
US-5221754-A Easily removable blocking groups to protect primary or secondary amines RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-22 US disclosed