SCHEMBL10698162

SCHEMBL10698162

CCN(CC)CCCNC(=O)Oc1cc(O)n(-c2ccccc2Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.42
MAPK11 Q15759 3/20 0.41
MAPK14 Q16539 3/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NSD2 O96028 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
APP P05067 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CCR2 P41597 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL10388626 0.85 MAPK1 (0.48) MEN1KMT2ATSHRMAPK11MAPK14
SCHEMBL10698208 0.75 PDE4B (0.42) MEN1KMT2AMAPK11MAPK14TP53
SCHEMBL2853643 0.74 PDE4B (0.43) MEN1KMT2AMAPK11MAPK14ALDH1A1
SCHEMBL10701543 0.72 MEN1 (0.39) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL1892517 0.70 GAA (0.57) GAAALDH1A1LMNANPC1RAB9A
SCHEMBL10388067 0.70 MAPK1 (0.48) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL3471893 0.69 RXRA (0.50) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL11118558 0.68 ALDH1A1 (0.46) MEN1KMT2ATSHRMAPK1HTT
SCHEMBL10388627 0.66 RXRA (0.52) MEN1KMT2AMAPK11MAPK14ALDH1A1
SCHEMBL1460412 0.66 HPGD (0.44) MEN1KMT2ATSHRMAPK11MAPK14

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-0266569-A2 Solvent dyes with carboxylic-acid functions BASF Aktiengesellschaft (DE) 1988-05-11 EP disclosed