SCHEMBL4440928

SCHEMBL4440928

CCCC(C(=O)Nc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
METAP2 P50579 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL7203394 0.91 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11528868 0.89 HDAC8 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5705068 0.81 MAPT (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7959730 0.78 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8509314 0.77 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20621920 0.77 MEN1 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11520359 0.76 MEN1 (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL11520215 0.76 LMNA (0.39) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1491201 0.76 HSD17B10 (0.69) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4364196 0.75 POLB (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-2009148961-A2 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-12-10 WO disclosed