SCHEMBL17499775

SCHEMBL17499775

COc1ccccc1N=CCc1cnn(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
PDE4B Q07343 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
CSF1R P07333 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KAT7 O95251 1/20 0.35
KAT6A Q92794 1/20 0.35

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
SCHEMBL17499429 0.87 KDM1A (0.34) PDE1APDE1BPDE1CPDE4BKDM4E
SCHEMBL17499285 0.86 GABRA1 (0.35) PDE1APDE1BPDE1CKDM4E
SCHEMBL16101401 0.84 PDE4B (0.38) PDE4BKDM4EALDH1A1CSF1RTSHR
SCHEMBL16098555 0.84 PDE4B (0.36) PDE1APDE1BPDE1CPDE4BHSD17B10
SCHEMBL16101361 0.82 PDCD1LG2 (0.35) PDE1APDE1BPDE1CPDE4BHSD17B10
SCHEMBL16102141 0.82 PDE4B (0.39) PDE1APDE1BPDE1CPDE4BHSD17B10
SCHEMBL16098488 0.78 CYP1A2 (0.36) HSD17B10KDM4EALDH1A1CASP1RXFP1
SCHEMBL17499337 0.77 ALDH1A1 (0.45) HSD17B10KDM4EALDH1A1CASP1RXFP1
SCHEMBL17499339 0.77 ALDH1A1 (0.45) HSD17B10KDM4EALDH1A1CASP1RXFP1
SCHEMBL16097165 0.76 POLB (0.42) HSD17B10KDM4EALDH1A1CASP1RXFP1

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 3 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