SCHEMBL16623579

SCHEMBL16623579

N=C(Nc1cccc(S)c1)c1c(NC2CCCC2)c(Br)c[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.32
NPC1 O15118 6/20 0.32
RAB9A P51151 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
EPHX2 P34913 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX1 P07099 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
CNR1 P21554 1/20 0.32
GRK2 P25098 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL16623571 0.80 JAK1 (0.34) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL16623443 0.78
SCHEMBL16623590 0.69 EGFR (0.37) TDP1
SCHEMBL16623602 0.66 JAK1 (0.37) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL16623505 0.66
SCHEMBL17849240 0.66 JAK1 (0.43) RAB9AMEN1KMT2ALMNAEPHX2
SCHEMBL20246136 0.65 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL17849224 0.65 EGFR (0.33)
SCHEMBL20246160 0.63 JAK2 (0.42) SMN1; SMN2
SCHEMBL20246354 0.62 LMNA (0.35) NPC1RAB9AMEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed