SCHEMBL10697955

SCHEMBL10697955

CCN(CC)CCCNC(=O)Oc1cc(O)n(-c2c(C)cccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NSD2 O96028 1/20 0.35
RAD52 P43351 1/20 0.35
GAA P10253 1/20 0.35
ACKR3 P25106 1/20 0.35
FGFR1 P11362 1/20 0.34

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
SCHEMBL10698162 0.87 MEN1 (0.44) ALDH1A1MAPK1TSHRHTTKDM4E
SCHEMBL10701543 0.87 MEN1 (0.39) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL10388067 0.85 MAPK1 (0.48) ALDH1A1MAPK1TSHRHTTKDM4E
SCHEMBL9798804 0.77 MAPK14 (0.35) KDM4EMEN1KMT2ALMNAPOLB
SCHEMBL10388626 0.71 MAPK1 (0.48) ALDH1A1MAPK1TSHRHTTKDM4E
SCHEMBL10389842 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL10701708 0.66 KDM4E (0.44) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL1892517 0.65 GAA (0.57) ALDH1A1LMNAGAA
SCHEMBL15033599 0.65 ALDH1A1 (0.54) ALDH1A1MAPK1TSHRHTTSIGMAR1
SCHEMBL11118558 0.65 ALDH1A1 (0.46) ALDH1A1MAPK1TSHRHTTKDM4E

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