SCHEMBL21055936

SCHEMBL21055936

S=c1c2ccccc2oc2cccc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.48
MAOA P21397 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TTR P02766 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 2/20 0.42
CYP3A4 P08684 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSMB8 P28062 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
NMUR2 Q9GZQ4 1/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30490062 0.84 AHR (0.55) AHRMAOASMN1; SMN2ALDH1A1TTR
SCHEMBL472793 0.84 AHR (0.55) AHRMAOASMN1; SMN2ALDH1A1TTR
SCHEMBL5608879 0.79 AHR (0.50) AHRMAOASMN1; SMN2ALDH1A1TTR
SCHEMBL29487286 0.79 ALDH1A1 (0.56) AHRMAOASMN1; SMN2ALDH1A1KDM4E
SCHEMBL195537 0.79 ALDH1A1 (0.56) AHRMAOASMN1; SMN2ALDH1A1KDM4E
SCHEMBL49552 0.77 MAOA (0.63) AHRMAOASMN1; SMN2ALDH1A1TTR
SCHEMBL7743850 0.77 ALDH1A1 (0.42) AHRMAOASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28745531 0.77 AHR (0.48) AHRMAOASMN1; SMN2ALDH1A1TTR
SCHEMBL30618440 0.77 MAOA (0.63) AHRMAOASMN1; SMN2ALDH1A1TTR
SCHEMBL23287879 0.77 AHR (0.44) AHRMAOASMN1; SMN2ALDH1A1TTR

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-2963489-B1 CURVED DISPLAY DEVICE SAMSUNG DISPLAY CO LTD (KR) 2019-06-19 EP claimed