SCHEMBL13607804

SCHEMBL13607804

Brc1cnc2[nH]c(Cc3ccc4ccccc4c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
HTR6 P50406 1/20 0.39
EGFR P00533 1/20 0.38
FLT1 P17948 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PDE10A Q9Y233 2/20 0.38
RIOK2 Q9BVS4 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13607779 0.86 GAA (0.50) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13607801 0.84 GAA (0.42) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13607799 0.82 CDK5 (0.48) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13607793 0.82 RNASEH1 (0.43) LMNAEGFRMAPK1KMT2AADORA2A
SCHEMBL13607784 0.81 MAPT (0.40) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13607786 0.81 HPGD (0.44) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13607789 0.81 PDE5A (0.46) LMNARAB9AMAPTEGFRTAAR1
SCHEMBL13607772 0.81 GRIN1 (0.47) LMNASMN1; SMN2POLBGAAHTT
SCHEMBL13607781 0.80 SMN1; SMN2 (0.48) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4058306 0.79 SMN1; SMN2 (0.52) LMNASMN1; SMN2NPC1RAB9AMAPT

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed