SCHEMBL27699019

SCHEMBL27699019

[CH2]CN(C(=O)NSC(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 5/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB2 P07550 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL27680103 0.77 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL3483440 0.74 LTB4R2 (0.50) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL3483338 0.72 MEN1 (0.70) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8761451 0.71 MEN1 (0.54) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL3482860 0.70 LTB4R2 (0.56) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL3483620 0.68 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL1416009 0.68 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL1068790 0.68 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL3483115 0.67 MEN1 (0.73) KMT2AMEN1ALDH1A1GLATSHR
SCHEMBL3483439 0.67 THRB (0.54) KMT2AALDH1A1GLATSHRSMN1; 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
CN-103211811-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2015-06-10 CN disclosed
CN-103211811-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-07-24 CN disclosed
CN-101932317-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-03-27 CN disclosed
CN-101932317-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2010-12-29 CN disclosed
CN-101031539-A Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORP (JP) 2007-09-05 CN disclosed