SCHEMBL11465129

SCHEMBL11465129

COc1ccc(NC(C)=O)cc1NCC(O)COc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ADRB1 P08588 5/20 0.55
ADRB3 P13945 5/20 0.55
ADRB2 P07550 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2D6 P10635 3/20 0.55
OPRK1 P41145 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 3/20 0.50
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TNF P01375 1/20 0.47
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL11814077 0.90 MAPT (0.67) MAPTALDH1A1LMNAKDM4EADRB1
SCHEMBL11416119 0.86 ALDH1A1 (0.47) MAPTALDH1A1LMNAKDM4EADRB1
SCHEMBL11571275 0.86 MAPT (0.67) MAPTALDH1A1LMNAKDM4EADRB1
SCHEMBL9620020 0.86 MAPT (0.69) MAPTALDH1A1LMNAADRB1ADRB3
SCHEMBL11674318 0.83 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10889271 0.82 MAPT (0.77) MAPTALDH1A1LMNAADRB1ADRB3
SCHEMBL9327473 0.80 FAAH (0.46) MAPTALDH1A1LMNAKDM4EADRB1
SCHEMBL28332833 0.78 ALDH1A1 (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9661011 0.77 MAPT (0.78) MAPTALDH1A1LMNAADRB1ADRB3
SCHEMBL10383129 0.77 MEN1 (0.69) MAPTALDH1A1KDM4EMEN1KMT2A

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-4189427-A Azo dyestuffs from benzene diazo component fused to an aliphatic ring and containing two cyano substituents ortho to the azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed