SCHEMBL11325646

SCHEMBL11325646

CC(=O)Nc1ccc(Oc2ccccc2)c(NC(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.54
ESRRA P11474 2/20 0.53
BRD4 O60885 2/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
RECQL P46063 1/20 0.51
PLA2G7 Q13093 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PYGL P06737 1/20 0.49
RORC P51449 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL10616610 0.88 MAPT (0.53) MAPTLMNAALDH1A1HTTESRRA
SCHEMBL11546464 0.85 ALDH1A1 (0.53) MAPTALDH1A1HTTESRRAMTNR1A
SCHEMBL10416922 0.85 NPSR1 (0.50) MAPTLMNAHTTBRD4CYP1A2
SCHEMBL1638973 0.84 L3MBTL1 (0.57) MAPTLMNAHTTCYP1A2CYP3A4
SCHEMBL8787198 0.84 L3MBTL1 (0.64) MAPTLMNAALDH1A1HTTCYP1A2
SCHEMBL10620277 0.84 TDP1 (0.61) MAPTLMNAALDH1A1ESRRABRD4
SCHEMBL6285132 0.84 ESRRA (0.69) ALDH1A1ESRRARORCGAA
SCHEMBL14384694 0.84 TTR (0.60) MAPTLMNAALDH1A1HTTESRRA
SCHEMBL15067981 0.84 STK39 (0.58) MAPTLMNAALDH1A1ESRRABRD4
Hydrochloric Acid SCHEMBL11330417 0.82 NPSR1 (0.48) MAPTLMNAALDH1A1HTTBRD4

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-4248794-A ACYLATION OF DIAMINOPHENYL ETHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-03 US disclosed