SCHEMBL18238200

SCHEMBL18238200

CCc1nccc2c(=O)cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.50
KMT2A Q03164 1/20 0.48
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4A O75164 2/20 0.38
KDM4B O94953 2/20 0.38
KDM5C P41229 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
NUDT1 P36639 1/20 0.33
AXL P30530 1/20 0.33
PRKCI P41743 1/20 0.33
AHR P35869 1/20 0.32
TERT O14746 1/20 0.32

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
SCHEMBL19152542 0.77 CCR8 (0.55) CCR8KMT2APDE3BPDE3AADORA2A
SCHEMBL18237714 0.77 KDM5B (0.44) PDE3BPDE3AADORA2AADORA1KDM4A
SCHEMBL13178567 0.75 REN (0.43) PDE3BPDE3ANUDT1AXLAHR
SCHEMBL30740096 0.75 CCR8 (0.57) CCR8KMT2AADORA2AADORA1KDM4E
SCHEMBL15367016 0.75 CCR8 (0.57) CCR8KMT2AADORA2AADORA1KDM4E
SCHEMBL19131034 0.75 CCR8 (0.52) CCR8KMT2APDE3BPDE3AADORA2A
SCHEMBL18239045 0.73 CCR8 (0.37) CCR8KMT2APDE3BPDE3AADORA2A
SCHEMBL18238493 0.73 PDE3B (0.47) KMT2APDE3BPDE3AADORA2AADORA1
SCHEMBL22492418 0.70 CCR8 (0.55) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL24835675 0.69 PDE3B (0.54) KMT2APDE3BPDE3AKDM4E

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-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 WO disclosed