SCHEMBL6314740

SCHEMBL6314740

C=C(C)C(=O)NCCCC(=O)c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TBXAS1 P24557 2/20 0.35
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
ALOX12 P18054 1/20 0.33
HDAC3 O15379 1/20 0.32
NCOR1 O75376 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HSPA5 P11021 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MTNR1A P48039 1/20 0.30

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
SCHEMBL6321087 0.92 NPC1 (0.37) NPC1RAB9ATBXAS1QPCTQPCTL
SCHEMBL6314871 0.81 ZDHHC20 (0.41) NPC1RAB9ATBXAS1KMT2AALDH1A1
SCHEMBL935332 0.79 TBXAS1 (0.50) TBXAS1
Hydrochloric Acid SCHEMBL8108651 0.78 TBXAS1 (0.51) TBXAS1
SCHEMBL18986866 0.78 F10 (0.36) NPC1RAB9ATBXAS1HDAC3NCOR1
SCHEMBL8736180 0.77 TBXAS1 (0.47) NPC1RAB9ATBXAS1HDAC3NCOR1
SCHEMBL432102 0.76 NPC1 (0.37) NPC1RAB9AHDAC1KMT2A
SCHEMBL434372 0.76 TERT (0.49) TBXAS1QPCTQPCTLMTNR1A
SCHEMBL7589893 0.75 NPC1 (0.44) NPC1RAB9ATBXAS1KMT2A
SCHEMBL6316263 0.74 DAGLA (0.58) HDAC3HDAC1HDAC2KMT2AMEN1

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-1303566-A1 SUPERPARAMAGNETIC PEARL POLYMERS Bayer Aktiengesellschaft (DE) 2003-04-23 EP disclosed
WO-2002004555-A1 SUPERPARAMAGNETIC PEARL POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-17 WO disclosed