SCHEMBL15964938

SCHEMBL15964938

O=C1CCOc2cc(OC(F)F)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.40
CREBBP Q92793 5/20 0.40
TRPV1 Q8NER1 2/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
STING1 Q86WV6 1/20 0.35
GRM5 P41594 2/20 0.34
MAPT P10636 3/20 0.34
MAOB P27338 1/20 0.34
KIF11 P52732 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL15964920 0.89 MAPT (0.39) TRPV1POLBSMN1; SMN2KMT2ASTING1
SCHEMBL15964652 0.81 PDE3B (0.50) POLBSMN1; SMN2PDE3BPDE3AMAPT
SCHEMBL22368731 0.77 BRD4 (0.63) BRD4CREBBPPOLBSMN1; SMN2NPC1
SCHEMBL3485856 0.76 FABP6 (0.43) KMT2AMAPT
SCHEMBL23189095 0.75 BRD4 (0.45) BRD4CREBBPPDE3BPDE3AMAOB
SCHEMBL22368809 0.75 BRD4 (0.63) BRD4CREBBPSMN1; SMN2NPC1RAB9A
SCHEMBL22369086 0.74 MAOB (0.65) BRD4CREBBPSMN1; SMN2NPC1RAB9A
SCHEMBL18794868 0.74 MAOB (0.48) BRD4CREBBPSMN1; SMN2NPC1RAB9A
SCHEMBL28575263 0.73 CA9 (0.51) BRD4CREBBPPOLBSMN1; SMN2PDE3B
SCHEMBL24720317 0.73 CMA1 (0.45) BRD4PDE3BPDE3AMEN1KMT2A

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-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed