SCHEMBL8290239

SCHEMBL8290239

O=C(N1CCCC1)N(O)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 16/20 0.40
MAPT P10636 1/20 0.38
F2 P00734 1/20 0.35

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
SCHEMBL3765360 0.69 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL142916 0.66 MEN1 (0.54) ALDH1A1POLBF10MAPT
SCHEMBL5794492 0.66 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL505240 0.65 CA12 (0.53) POLBF10
SCHEMBL143175 0.65 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2F10MAPT
Hydrochloric Acid SCHEMBL4747459 0.64 CA12 (0.51) POLBF10
SCHEMBL1998322 0.64 F10 (0.51) F10F2
SCHEMBL6049982 0.64 KMT2A (0.53) ALDH1A1SMN1; SMN2F10MAPTF2
SCHEMBL4238560 0.64 F10 (0.58) POLBF10MAPT
SCHEMBL2645575 0.64 DDB1 (0.41) ALDH1A1SMN1; SMN2F10MAPT

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
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed