SCHEMBL16096486

SCHEMBL16096486

COc1ccccc1N=C(c1ccccc1)c1nccnc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 6/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
SCHEMBL17499772 0.87 ALDH1A1 (0.38) HTTRAB9ASMN1; SMN2LMNATDP1
SCHEMBL17499776 0.87 GAA (0.35) HTTRAB9ASMN1; SMN2LMNATDP1
SCHEMBL17499617 0.86 GAA (0.34) HTTRAB9ASMN1; SMN2LMNATDP1
SCHEMBL16096446 0.85 MEN1 (0.41) HTTRAB9ASMN1; SMN2LMNATDP1
SCHEMBL17499817 0.82 ALDH1A1 (0.44) HTTRAB9ASMN1; SMN2LMNATP53
SCHEMBL30416262 0.81 NOS3 (0.50) HTTRAB9ASMN1; SMN2LMNATP53
SCHEMBL6547372 0.81 NOS3 (0.50) HTTRAB9ASMN1; SMN2LMNATP53
SCHEMBL16097131 0.80 SMN1; SMN2 (0.45) HTTRAB9ASMN1; SMN2LMNATDP1
SCHEMBL16098008 0.79 ALDH1A1 (0.34) HTTRAB9ASMN1; SMN2LMNATDP1
SCHEMBL16098463 0.79 ALDH1A1 (0.56) HTTRAB9ASMN1; SMN2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed