SCHEMBL5740587

SCHEMBL5740587

O=S(=O)(c1ccccc1)N(CCc1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 4/20 0.69
ESR1 P03372 4/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NR3C1 P04150 1/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.49
CNR2 P34972 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RORC P51449 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9702124 0.89 CNR2 (0.65) NR1I2ESR1KMT2AMEN1NR3C1
SCHEMBL5330652 0.81 ESR1 (0.78) NR1I2ESR1KMT2AMEN1L3MBTL1
SCHEMBL10438567 0.80 ESR1 (0.79) NR1I2ESR1KMT2AMEN1L3MBTL1
SCHEMBL15672854 0.80 NR1I2 (0.48) NR1I2ESR1KMT2AMEN1CNR2
SCHEMBL15086440 0.79 TDP1 (0.59) NR1I2KMT2AMEN1LMNAALDH1A1
SCHEMBL5189511 0.77 ESR1 (0.80) NR1I2ESR1KMT2AL3MBTL1LMNA
SCHEMBL2006245 0.77 ESR1 (0.60) ESR1KMT2AL3MBTL1TSHRMAPK1
SCHEMBL7956823 0.77 NR1I2 (0.55) NR1I2KMT2AMEN1L3MBTL1NR3C1
SCHEMBL411162 0.76 HDAC3 (0.55) NR1I2KMT2AMEN1LMNAALDH1A1
SCHEMBL3482968 0.76 LMNA (0.60) NR1I2ESR1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901996-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES MITSUI CHEMICALS INC (JP) 2006-02-01 EP disclosed
US-6222072-B1 RACTING IMINE WITH HYDRIDE REAGENT IN PRESENCE OF OPTICALLY ACTIVE METAL COMPOUND, WHEREIN HYDRIDE REAGENT IS A METAL HYDRIDE, REAGENT THAT UNDERGOES METAL EXCHANGE, METAL TRIALKOXY HYDRIDE COMPLEX OR METAL(TRICARBOXYLIC ACID)HYDRIDE MITSUI CHEMICALS INC. (JP) 2001-04-24 US disclosed
EP-0901996-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES Mitsui Chemicals, Inc. (JP) 1999-03-17 EP disclosed