SCHEMBL11474337

SCHEMBL11474337

Oc1ccc(-c2nc3n(c2-c2ccc(O)cc2)CCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.51
PDE10A Q9Y233 1/20 0.48
ATM Q13315 1/20 0.47
TGFBR2 P37173 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIA1 P42261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
CFTR P13569 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Bromide SCHEMBL11473432 0.98 TGFBR1 (0.50) TGFBR1PDE10AATMTGFBR2RAB9A
Bromide SCHEMBL9699922 0.92 PDE10A (0.56) TGFBR1PDE10AATMTGFBR2RAB9A
SCHEMBL11474839 0.84 RAB9A (0.53) TGFBR1PDE10AATMTGFBR2RAB9A
SCHEMBL9436258 0.84 TGFBR1 (0.69) TGFBR1PDE10AATMTGFBR2RAB9A
SCHEMBL11473380 0.80 PDE10A (0.51) TGFBR1PDE10AATMTGFBR2RAB9A
SCHEMBL7343693 0.78 TGFBR1 (0.65) TGFBR1PDE10ATGFBR2SMN1; SMN2KDM4E
SCHEMBL11482604 0.77 MAPT (0.59) TGFBR1PDE10AATMTGFBR2RAB9A
SCHEMBL14278537 0.77 TGFBR1 (0.52) TGFBR1PDE10ATGFBR2RAB9ANPC1
SCHEMBL15452608 0.76 TGFBR1 (0.72) TGFBR1PDE10AATMRAB9ANPC1
SCHEMBL9524935 0.76 TGFBR1 (0.50) TGFBR1PDE10AATMTGFBR2RAB9A

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
US-4186205-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1980-01-29 US disclosed