SCHEMBL4450334

SCHEMBL4450334

CCCCSc1ccc(Br)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
MAPT P10636 4/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 3/20 0.39
MAOB P27338 2/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8570597 0.78 AR (0.55) ARMAPTTHRBALDH1A1MAPK1
SCHEMBL8400694 0.77 AR (0.50) ARMAPTTHRBALDH1A1MAPK1
SCHEMBL29601087 0.77 AR (0.50) ARMAPTTHRBALDH1A1MAPK1
SCHEMBL28226542 0.76 MAPT (0.40) MAPTALDH1A1MAPK1HSD17B10L3MBTL1
SCHEMBL5637278 0.74 MAOB (0.42) ARMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27557345 0.74 MAOB (0.48) MAPTALDH1A1MAPK1L3MBTL1MAOB
SCHEMBL8519336 0.72 PTGS2 (0.48) ARMAPTTHRBALDH1A1HSD17B10
SCHEMBL2557627 0.71 TSHR (0.50) ARMAPTTHRBALDH1A1MAPK1
SCHEMBL8569987 0.71 TSHR (0.50) ARMAPTTHRBALDH1A1MAPK1
SCHEMBL2550694 0.71 TSHR (0.50) ARMAPTTHRBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed