SCHEMBL19976248

SCHEMBL19976248

CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.79
MAOB P27338 2/20 0.57
MAOA P21397 1/20 0.57
ELANE P08246 10/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
EPHX2 P34913 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PDE4B Q07343 2/20 0.37

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
SCHEMBL17718432 0.90 KDM1A (0.63) KDM1AMAOBMAOAELANESMN1; SMN2
SCHEMBL16273286 0.88 KDM1A (1.00) KDM1AMAOBMAOAELANESMN1; SMN2
SCHEMBL31728921 0.88 KDM1A (1.00) KDM1AMAOBMAOAELANESMN1; SMN2
SCHEMBL17718444 0.88 KDM1A (1.00) KDM1AMAOBMAOAELANESMN1; SMN2
SCHEMBL16273305 0.87 KDM1A (0.88) KDM1AMAOBMAOAELANESMN1; SMN2
SCHEMBL18596569 0.85 KDM1A (0.76) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL15091433 0.85 KDM1A (0.76) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL15091431 0.85 KDM1A (0.76) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL15099831 0.85 KDM1A (0.71) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL16019177 0.85 KDM1A (0.71) KDM1AMAOBMAOASMN1; SMN2NPSR1

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-9918983-B2 Suicidal LSD1 inhibitors targeting SOX2-expressing cancer cells THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2018-03-20 US disclosed