SCHEMBL12834636

SCHEMBL12834636

O=C(NN1CCCCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.65
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MGLL Q99685 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL1179999 0.86 LIPE (0.67) LIPEMEN1POLBKMT2AKDM4E
SCHEMBL31596882 0.81 LIPE (0.58) LIPEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7550305 0.79 LIPE (1.00) LIPEMEN1POLBKMT2AALDH1A1
SCHEMBL27709492 0.79 CYP1A2 (0.58) CYP1A2CYP2D6MEN1POLBKMT2A
SCHEMBL8030549 0.79 LIPE (0.71) LIPEMEN1POLBKMT2AALDH1A1
SCHEMBL640619 0.78 CYP1A2 (0.76) CYP1A2CYP2D6MEN1POLBKMT2A
SCHEMBL11844842 0.78 MEN1 (0.68) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL603756 0.77 LIPE (0.71) LIPEMEN1KMT2AALDH1A1LMNA
SCHEMBL3888640 0.77 MAPT (0.68) CYP1A2MEN1POLBKMT2AALDH1A1
SCHEMBL17373926 0.76 MGLL (0.60) MEN1KMT2AALDH1A1SMN1; SMN2MGLL

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-2298292-A2 Kinase inhibitors for treating cancers Agennix USA Inc. (US) 2011-03-23 EP disclosed