SCHEMBL20514968

SCHEMBL20514968

COC(=O)C(Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.55
ATM Q13315 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL20514969 1.00 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL5967053 0.93 ALDH1A1 (0.53) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL28609758 0.86 ALDH1A1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL20514985 0.86 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL20514983 0.86 SMN1; SMN2 (0.54) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL5967356 0.85 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL20515051 0.85 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL4156603 0.85 ATM (0.65) MEN1KMT2AALDH1A1ATMLMNA
SCHEMBL4156601 0.85 ATM (0.65) MEN1KMT2AALDH1A1ATMLMNA
SCHEMBL5967074 0.83 NLRP3 (0.46) SMN1; SMN2HTTL3MBTL1MEN1KMT2A

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
EP-3381898-A1 SYMMETRICAL TRIS-ARYL-AMIDE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed