SCHEMBL3800899

SCHEMBL3800899

Cc1nc(Cl)cc(-c2ccco2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALOX15 P16050 3/20 0.42
HPGD P15428 3/20 0.42
BLM P54132 2/20 0.42
POLB P06746 2/20 0.42
PKM P14618 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
PTPN7 P35236 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
SCHEMBL3325699 0.82 ALDH1A1 (0.45) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL718474 0.79 HSP90AA1 (0.54) KDM4EALDH1A1MAPTHSD17B10BLM
SCHEMBL23204380 0.79 DYRK1A (0.45) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL23162725 0.79 MAPT (0.42) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL11836031 0.76 ADORA2A (0.49) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL5016163 0.74 SMN1; SMN2 (0.54) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL2763257 0.74 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL5016286 0.73 KDM4E (0.66) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL11828156 0.72 LMNA (0.54) PDE10AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1489493 0.72 POLB (0.56) KDM4EALDH1A1MAPTHSD17B10MEN1

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-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed