SCHEMBL13680865

SCHEMBL13680865

O=CCCc1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.56
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 9/20 0.46
HTT P42858 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 8/20 0.46
HPGD P15428 5/20 0.46
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 3/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MITF O75030 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5043750 0.84 SOS1 (0.59) SOS1MEN1KMT2AL3MBTL1HTR6
SCHEMBL13680864 0.83 ALDH1A1 (0.63) MEN1KMT2AL3MBTL1ALDH1A1HTT
SCHEMBL13680859 0.82 ALDH1A1 (0.60) MEN1KMT2AL3MBTL1HTR6ALDH1A1
SCHEMBL5043758 0.80 ALDH1A1 (0.68) SOS1MEN1KMT2AL3MBTL1HTR6
SCHEMBL624327 0.78 ALDH1A1 (0.60) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL282163 0.77 SOS1 (0.66) SOS1MEN1KMT2AL3MBTL1HTR6
SCHEMBL13681020 0.76 ALDH1A1 (0.40) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10000785 0.76 SOS1 (0.69) SOS1MEN1KMT2AL3MBTL1HTR6
SCHEMBL624093 0.76 ALDH1A1 (0.65) SOS1MEN1KMT2AL3MBTL1HTR6
SCHEMBL13680886 0.75 CYP2A6 (0.64) ALDH1A1HTTMAPTPOLBTDP1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed