SCHEMBL27768607

SCHEMBL27768607

CC(C)(C)OC(=O)C(Br)CN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD3 P35462 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 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
SCHEMBL5829266 0.83 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL5828931 0.83 MEN1 (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL6697403 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL485946 0.80 ANPEP (0.42) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL5829269 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL5828933 0.79 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL12481816 0.79 ZDHHC7 (0.42) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL9231379 0.75 HSD17B10 (0.37) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL1620937 0.74 HPGD (0.38) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8785206 0.72 ZDHHC7 (0.39) MEN1KMT2ACTSK

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-101481380-B Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MED XINCHANG PHARM 2012-10-17 CN disclosed
CN-101481380-A Thiofuran pyridazine compound, preparation thereof, pharmaceutical composition and uses thereof ZHEJIANG MEDICINE CO LTD (CN) 2009-07-15 CN disclosed