SCHEMBL13680716

SCHEMBL13680716

COC(=O)Nc1ncc(-c2ccc(C)o2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 4/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
GSK3B P49841 1/20 0.38
HPGD P15428 4/20 0.37
GAA P10253 3/20 0.37
MGAM O43451 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
LMNA P02545 2/20 0.37
PLIN1 O60240 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
SCHEMBL13680702 0.85 KDM4E (0.50) MAPTMEN1KMT2AALOX15KDM4E
SCHEMBL13680486 0.77 MAPT (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13681025 0.77 MAPT (0.38) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13680700 0.76 MAP4K4 (0.41) MAPTMEN1KMT2AALOX15KDM4E
SCHEMBL13680506 0.73 MAPK1 (0.51) MAPTMEN1KMT2AALOX15KDM4E
SCHEMBL8241210 0.73 HPGD (0.46) MAPTMEN1KMT2AALOX15KDM4E
SCHEMBL13680713 0.73 GSK3B (0.41) MAPTMEN1KMT2AALOX15KDM4E
SCHEMBL13680518 0.73 MAPT (0.41) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13680715 0.71 TDP1 (0.42) MAPTMEN1KMT2AALOX15KDM4E
SCHEMBL13680657 0.71 FAAH (0.46) ALDH1A1HPGDMAPK1AAK1PIK3C3

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed