SCHEMBL9345370

SCHEMBL9345370

CCOCc1ccc(OCC)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
CYP19A1 P11511 1/20 0.41
ACACB O00763 7/20 0.40
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 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
SCHEMBL12141547 0.83 MAPT (0.52) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL1845243 0.80 MAPT (0.49) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2488282 0.80 MAPT (0.53) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL20784571 0.80 MAPT (0.49) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL131857 0.80 MAPT (0.49) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL487644 0.80 TSHR (0.39) GABRA1GABRA5
SCHEMBL508250 0.80 MAPT (0.49) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL21909732 0.80 MAPT (0.49) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14406811 0.79 MAPT (0.45) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL9360618 0.79 ACACB (0.40) MAPTPIK3CDPIK3CAPIK3CBPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393453-B1 Process for the preparation of 2-chloro-5-chloromethyl-pyridine and new intermediates BAYER AG (DE) 1994-11-30 EP disclosed
US-5329011-A Process for the preparation of 2-chloro-5-chloromethyl-pyridine, and new intermediates BAYER AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
US-5233043-A 2-alkoxy-5-alkoxymethyl-pyridines and a process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1993-08-03 US disclosed
US-5116993-A PROCESS FOR THE PREPARATION OF 2-CHLORO-5-CHLOROMETHYLPYRIDINE, AND NEW INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0393453-A2 Process for the preparation of 2-chloro-5-chloromethyl-pyridine and new intermediates BAYER AG (DE) 1990-10-24 EP disclosed