SCHEMBL16097767

SCHEMBL16097767

COc1c(C)cccc1N=CCc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C9 P11712 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
SCHEMBL16096533 0.86 POLB (0.35) POLBSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16096245 0.85 POLB (0.34) POLBSMN1; SMN2ALDH1A1ALOX12NPSR1
SCHEMBL16098234 0.80 CYP1A2 (0.46) POLBSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16096306 0.80 CYP1A2 (0.40) POLBSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16097685 0.76 TP53 (0.43) POLBSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16096554 0.76 TP53 (0.41) POLBSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL16098692 0.75 KDM4E (0.50) POLBSMN1; SMN2CYP1A2ALDH1A1LMNA
SCHEMBL16098693 0.75 KDM4E (0.50) POLBSMN1; SMN2CYP1A2ALDH1A1LMNA
SCHEMBL16096810 0.75 ALDH1A1 (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL16096168 0.74 ALDH1A1 (0.36) SMN1; SMN2CYP1A2CYP3A4CYP2D6ALDH1A1

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