SCHEMBL27745873

SCHEMBL27745873

C[CH]CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CHRM2 P08172 2/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL27166398 0.98 TDP1 (0.58) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8332454 0.95 CHRM2 (0.56) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL9207150 0.87 GLS (0.55) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL16882232 0.86 TDP1 (0.53) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL28449486 0.85 TDP1 (0.59) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL4581242 0.85 TDP1 (0.59) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL6790333 0.84 TDP1 (0.71) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL1162143 0.84 TDP1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL8862878 0.82 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL2604742 0.82 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101432268-B 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB 2011-02-16 CN disclosed
CN-101432268-A 4- (2-amino-1-hydroxyethyl) phenol derivatives as beta 2 adrenoreceptor agonists ALMIRALL LAB (ES) 2009-05-13 CN disclosed