SCHEMBL9679447

SCHEMBL9679447

CN(c1ccc(C(=O)C(C)(C)N2CCOCC2)cc1)c1ccc(C(=O)C(C)(C)N2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 4/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
HRH3 Q9Y5N1 1/20 0.46
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 3/20 0.40
MLYCD O95822 2/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL9679558 0.91 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL9679472 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL10940747 0.84 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL10941442 0.84 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL27630183 0.83 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL9291268 0.83 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL701448 0.83 MAPK1 (0.70) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL9680431 0.82 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL727136 0.81 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL600821 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed