SCHEMBL14101736

SCHEMBL14101736

O=c1c2c(c(-c3ccsc3)nn1-c1cc(N3CCCC3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.37
AR P10275 1/20 0.35
MAPT P10636 5/20 0.34
HTT P42858 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.34
HTR6 P50406 1/20 0.34
MTOR P42345 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
P2RX7 Q99572 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL4721692 0.88 P2RX7 (0.38) NOTUMARHRH4P2RX7
SCHEMBL4721695 0.88 P2RX7 (0.38) NOTUMARHRH4P2RX7
SCHEMBL14101882 0.86 KDM4E (0.39) NOTUMARMAPTHTTMAPK1
SCHEMBL14101706 0.85 MAPT (0.38) NOTUMARMAPTHTTMAPK1
SCHEMBL14101794 0.85 PTGS2 (0.42) NOTUMARMAPTHTTMAPK1
SCHEMBL4724195 0.83 F10 (0.42) NOTUMARMAPTHTTMAPK1
SCHEMBL14101790 0.83 RORC (0.42) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL14101895 0.83 P2RX7 (0.38) NOTUMARMAPTHTTMAPK1
SCHEMBL14101792 0.83 NOTUM (0.39) NOTUMARMAPTHTTMAPK1
SCHEMBL4722495 0.82 F10 (0.44) NOTUMMAPTHTTMAPK1ALDH1A1

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed