SCHEMBL6181839

SCHEMBL6181839

O=C1CCc2c(Oc3ccc(/C=C\c4ccc(C(F)(F)F)cc4)cn3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.38
NFE2L2 Q16236 1/20 0.37
NR1H3 Q13133 1/20 0.36
MAPK1 P28482 1/20 0.36
ABCB1 P08183 2/20 0.35
GAA P10253 1/20 0.35
FAAH O00519 2/20 0.35
MAPT P10636 1/20 0.35
S1PR5 Q9H228 2/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL6178436 1.00 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1HPGDKMT2A
SCHEMBL6178442 1.00 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1HPGDKMT2A
SCHEMBL3631886 0.88 KMT2A (0.53) L3MBTL1POLBHPGDKMT2ATSHR
SCHEMBL6178103 0.82 ALDH1A1 (0.47) L3MBTL1POLBALDH1A1HPGDTSHR
SCHEMBL6178308 0.81 HPGD (0.43) HPGDKMT2ABRAFABCB1MAPT
SCHEMBL6181372 0.81 HPGD (0.43) HPGDKMT2ABRAFABCB1MAPT
SCHEMBL6178316 0.81 HPGD (0.43) HPGDKMT2ABRAFABCB1MAPT
SCHEMBL6181402 0.81 MAPT (0.49) L3MBTL1POLBKMT2ASMN1; SMN2MAPK1
SCHEMBL6179205 0.80 RAB9A (0.57) L3MBTL1ALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL6178473 0.78 RAB9A (0.53) L3MBTL1MAPK1GAAMAPT

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
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed