SCHEMBL22967286

SCHEMBL22967286

Cc1c(C)n(CC(O)CN2CCOCC2)c2cc(F)ccc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.67
HSD17B10 Q99714 3/20 0.67
MAPT P10636 2/20 0.67
THRB P10828 1/20 0.67
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
POLB P06746 1/20 0.64
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.52
IDO1 P14902 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
PER2 O15055 4/20 0.46
CRY2 Q49AN0 4/20 0.46
CRY1 Q16526 2/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNJ4 P48050 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL22967285 0.91 ALOX15 (0.77) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL22967292 0.83 ALOX15 (0.47) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL29930181 0.83 KDM4E (0.89) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL9769990 0.73 ALDH1A1 (0.65) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL22967278 0.73 MAPT (0.53) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL22967304 0.73 CNR2 (0.48) ALOX15HSD17B10MAPTTHRBKDM4E
Hydrochloric Acid SCHEMBL9690565 0.72 ALDH1A1 (0.65) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL22640019 0.69 KDM4E (0.79) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL29930278 0.68 ALOX15 (0.66) ALOX15HSD17B10MAPTTHRBKDM4E
SCHEMBL16211042 0.68 RAD52 (0.76) ALOX15HSD17B10MAPTTHRBKDM4E

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
WO-2021026185-A1 INDOLE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2021-02-11 WO disclosed