SCHEMBL8993761

SCHEMBL8993761

O=C(Cn1cccc([N+](=O)[O-])c1=O)C1CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
ELANE P08246 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
Hydrochloric Acid SCHEMBL8993816 0.81 ELANE (0.38) ELANEALDH1A1KDM4E
SCHEMBL7234130 0.73 RAD52 (0.56) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL13120869 0.72 RECQL (0.48) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL8265639 0.72 RAD52 (0.55) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL8993763 0.71 PKM (0.51) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL8993750 0.70 ALDH1A1 (0.43) KMT2AALDH1A1MEN1LMNA
SCHEMBL15803826 0.69 RECQL (0.50) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL3713978 0.69 RAD52 (0.52) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL6980198 0.69 ELANE (0.55) RAD52ELANERECQLKMT2AALDH1A1
SCHEMBL15804004 0.69 ELANE (0.70) RAD52ELANERECQLKMT2AALDH1A1

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
US-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed