SCHEMBL28044539

SCHEMBL28044539

COC(=O)c1ccc(N2CCCCC2N)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
ALDH1A1 P00352 12/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 10/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGER4 P35408 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7467830 0.88 MAPT (0.44) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL28044566 0.81 SIRT6 (0.41) MYCALDH1A1MAPTGAAHPGD
SCHEMBL3809507 0.78 ALDH1A1 (0.53) MYCALDH1A1MAPTGAAHPGD
SCHEMBL7052909 0.77 RAB9A (0.43) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL27808166 0.77 NPC1 (0.52) MYCALDH1A1MAPTGAAHPGD
SCHEMBL7051580 0.74 HPGD (0.50) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL7468705 0.74 KDM4E (0.41) ALDH1A1MAPTGAAKDM4ERAB9A
SCHEMBL1098022 0.74 MYC (0.46) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL17158206 0.72 ALDH1A1 (0.50) MYCALDH1A1MAPTHPGDKDM4E
SCHEMBL17158204 0.72 ALDH1A1 (0.50) MYCALDH1A1MAPTHPGDKDM4E

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
CN-101594862-B Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-25 CN disclosed