SCHEMBL15435343

SCHEMBL15435343

CCCC(Br)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.45
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
TP53 P04637 1/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
ATM Q13315 1/20 0.33
GPR35 Q9HC97 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FFAR1 O14842 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KIF11 P52732 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
SCHEMBL10694812 0.84 TSHR (0.38) GRIA4TSHRLMNATYRTP53
SCHEMBL15435180 0.83 GRIA4 (0.42) GRIA4TSHRLMNATYRTP53
SCHEMBL2764096 0.82 PDE2A (0.43) FFAR1
SCHEMBL3612320 0.82 PDE2A (0.43) FFAR1
SCHEMBL30943788 0.79 TSHR (0.41) GRIA4TSHRLMNATYRTP53
SCHEMBL18253216 0.77 GRIA4 (0.43) GRIA4TSHRLMNATYRSCN10A
SCHEMBL9789948 0.77 CHRNA7 (0.38) LMNAACHE
SCHEMBL6173982 0.77 PYCR1 (0.39)
SCHEMBL6055147 0.76 GRIA4 (0.45) GRIA4TSHRLMNATYRHDAC3
SCHEMBL6679604 0.75 SLC6A2 (0.41) TSHRLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed