SCHEMBL14029057

SCHEMBL14029057

OCCN1CCN=C1c1ccc(C2=NCCN2CCO)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 3/20 0.77
▸ TOP2B Q02880 3/20 0.77
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33

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
SCHEMBL9207860 0.91 TOP2A (0.66) TOP2ATOP2BMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7734290 0.86 TOP2A (0.97) TOP2ATOP2BMEN1KMT2ACYP1A2
SCHEMBL16869399 0.81 TOP2A (0.54) TOP2ATOP2BCA1CA2CA4
SCHEMBL28088763 0.79 TOP2A (0.52) TOP2ATOP2BCYP1A2CYP2D6
SCHEMBL19452997 0.77 TOP2A (0.51) TOP2ATOP2BKMT2A
SCHEMBL14029060 0.76 TOP2A (0.77) TOP2ATOP2B
SCHEMBL10365364 0.73 TOP2A (0.47) TOP2ATOP2BMEN1KMT2ACYP1A2
SCHEMBL28088766 0.73 TOP2A (0.47) TOP2ATOP2BMEN1KMT2ACYP1A2
SCHEMBL11192478 0.72 TOP2A (0.46) TOP2ATOP2B
SCHEMBL7581296 0.71 TOP2A (0.45) TOP2ATOP2BMEN1KMT2A

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-7439011-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-10-21 — — US disclosed
US-20070003887-A1 Photothermographic material RIKIO INOUE 2007-01-04 — — US disclosed
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