SCHEMBL11077464

SCHEMBL11077464

O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2cnccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
POLB P06746 4/20 0.58
MEN1 O00255 3/20 0.58
RECQL P46063 1/20 0.57
KCNJ1 P48048 2/20 0.56
KCNH2 Q12809 2/20 0.56
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
SIGMAR1 Q99720 1/20 0.50
HSP90AA1 P07900 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PANK3 Q9H999 1/20 0.47
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46

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
SCHEMBL11082813 0.83 GFER (0.57) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL11079223 0.83 KDM4E (0.72) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL11155548 0.81 L3MBTL1 (0.61) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL11076159 0.78 ADRB2 (0.57) KMT2APOLBMEN1KCNH2ALDH1A1
SCHEMBL3332171 0.78 HRH3 (0.58) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL21423847 0.76 PANK3 (0.68) KMT2APOLBMEN1RECQLALDH1A1
SCHEMBL1876940 0.76 RECQL (0.72) KMT2APOLBMEN1RECQLKCNJ1
SCHEMBL12611028 0.76 KMT2A (0.90) KMT2APOLBMEN1RECQLKCNJ1
SCHEMBL11077598 0.75 ATM (0.51) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11071969 0.75 POLB (0.60) KMT2APOLBRECQLALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US claimed
US-4439606-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-27 US disclosed