SCHEMBL17499673

SCHEMBL17499673

COc1ccccc1CN=C(C)c1cnn(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.41
GRIN1 Q05586 2/20 0.41
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
RECQL P46063 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALKBH1 Q13686 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL16102401 0.88 SMN1; SMN2 (0.31) GRIN2BGRIN1SMN1; SMN2LMNACYP1A2
SCHEMBL28823545 0.88 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2KCNH2CYP1A2CYP3A4
SCHEMBL17499432 0.87 NPC1 (0.30) SMN1; SMN2KDM4EALDH1A1
SCHEMBL17499596 0.78 GRIN2D (0.42) GRIN2BGRIN1SIGMAR1SMN1; SMN2LMNA
SCHEMBL16101407 0.75 GRIN2B (0.41) GRIN2BGRIN1SIGMAR1SMN1; SMN2LMNA
SCHEMBL17499398 0.75 RAB9A (0.35) SMN1; SMN2LMNAKDM4EALDH1A1TDP1
SCHEMBL17499814 0.74 GRIN2B (0.44) GRIN2BGRIN1SMN1; SMN2LMNAMTNR1A
SCHEMBL17499639 0.73 CYP1A2 (0.52) GRIN2BGRIN1SIGMAR1SMN1; SMN2LMNA
SCHEMBL16096026 0.73 CYP1A2 (0.52) GRIN2BGRIN1SIGMAR1SMN1; SMN2LMNA
SCHEMBL17499731 0.72 GRIN2B (0.42) GRIN2BGRIN1SMN1; SMN2LMNAKDM4E

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-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
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed