SCHEMBL5199685

SCHEMBL5199685

CC(=O)On1c(-c2ccccc2)c(C#N)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 1/20 0.46
STAT3 P40763 1/20 0.46
CYP11B2 P19099 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
AGTR1 P30556 1/20 0.40
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL1906715 0.74 POLB (0.55) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL9022740 0.73 MAOA (0.51) ALDH1A1MAPK1STAT3CYP11B2SMN1; SMN2
SCHEMBL28988803 0.73 CYP11B2 (0.73) ALDH1A1MAPK1CYP11B2SMN1; SMN2TDP1
SCHEMBL3373253 0.70 P2RX4 (0.47) ALDH1A1SMN1; SMN2GAAKDM4EGLA
SCHEMBL6142952 0.69 HPGD (0.57) ALDH1A1MAPK1SMN1; SMN2KMT2AKDM4E
SCHEMBL9023167 0.68 PGR (0.45) ALDH1A1MAPK1STAT3CYP11B2SMN1; SMN2
SCHEMBL27796334 0.68 ALDH1A1 (0.43) ALDH1A1MAPK1STAT3SMN1; SMN2TDP1
SCHEMBL27620887 0.67 EGFR (0.45) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL1039147 0.67 ALDH1A1 (0.49) ALDH1A1MAPK1STAT3CYP11B2SMN1; SMN2
SCHEMBL9022441 0.66 MAOA (0.54) ALDH1A1MAPK1CYP11B2TDP1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829872-B1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-07-29 EP disclosed
EP-1829872-A1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2007-09-05 EP disclosed