SCHEMBL8614465

SCHEMBL8614465

C=Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HGFAC Q04756 1/20 0.50
TTR P02766 3/20 0.49
MAPT P10636 9/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 5/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 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
SCHEMBL4517678 0.85 VCP (0.55) HGFACTTRMAPTKMT2AMEN1
SCHEMBL28982636 0.81 ALOX5 (0.57) HGFACTTRMAPTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL27995845 0.80 CES2 (0.58) HGFACTTRMAPTKMT2AMEN1
SCHEMBL70054 0.80 ALOX5 (0.58) HGFACTTRMAPTKMT2AMEN1
SCHEMBL8612255 0.80 KMT2A (0.67) HGFACMAPTKMT2AMEN1ALDH1A1
SCHEMBL20591969 0.80 HGFAC (0.50) HGFACTTRMAPTKMT2AMEN1
SCHEMBL20591991 0.80 HGFAC (0.50) HGFACTTRMAPTKMT2AMEN1
SCHEMBL5981327 0.79 MAPT (0.68) TTRMAPTKMT2AMEN1ALDH1A1
SCHEMBL19320489 0.79 HGFAC (0.51) HGFACTTRMAPTKMT2AMEN1
SCHEMBL20591948 0.79 KMT2A (0.53) HGFACTTRMAPTKMT2AMEN1

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-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US disclosed