SCHEMBL6316263

SCHEMBL6316263

C=C(C)C(=O)NCCCC(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 3/20 0.58
HTT P42858 2/20 0.49
XDH P47989 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.43
SMYD3 Q9H7B4 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL6315636 0.82 DAGLA (0.56) DAGLAHTTXDHSMN1; SMN2MAPT
SCHEMBL433633 0.81 HTT (0.66) HTTSMN1; SMN2POLBUSP2LMNA
SCHEMBL7091199 0.80 LMNA (0.64) HTTSMN1; SMN2POLBUSP2LMNA
SCHEMBL27573148 0.78 DAGLA (0.76) DAGLASMN1; SMN2MAPTKMT2ALMNA
SCHEMBL10464100 0.76 DAGLA (0.64) DAGLAXDHSMN1; SMN2MAPTSMYD3
SCHEMBL7051953 0.75 DAGLA (0.60) DAGLAHTTXDHSMN1; SMN2MAPT
SCHEMBL1735989 0.75 MAPT (0.55) DAGLAHTTXDHSMN1; SMN2MAPT
SCHEMBL11073930 0.74 SMYD3 (0.55) DAGLAHTTMAPTSMYD3POLB
SCHEMBL9518561 0.74 DAGLA (0.64) DAGLAXDHSMN1; SMN2MAPTLMNA
SCHEMBL6314740 0.74 NPC1 (0.35) SMN1; SMN2MEN1KMT2AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014027-A1 Crosslinked polymer doped with iron oxide; diagnosis of nucleic acids BAYER AKTIENGESELLSCHAFT (DE) 2005-01-20 US claimed
US-20050014027-A1 Crosslinked polymer doped with iron oxide; diagnosis of nucleic acids BAYER AKTIENGESELLSCHAFT (DE) 2005-01-20 US disclosed
EP-1155026-A2 METHOD FOR ISOLATING NUCLEIC ACIDS Bayer Aktiengesellschaft (DE) 2001-11-21 EP disclosed
WO-2000049031-A2 METHOD FOR ISOLATING NUCLEIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2000-08-24 WO disclosed