SCHEMBL16613469

SCHEMBL16613469

c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3sccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.36
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PTGER1 P34995 1/20 0.32
DHODH Q02127 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NQO2 P16083 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL16613713 0.98 DHODH (0.36) VCPADORA2AALDH1A1KDM4EHPGD
SCHEMBL16613555 0.93 DHODH (0.34) VCPADORA2ADHODHNQO2
SCHEMBL16613714 0.91 VCP (0.34) VCPADORA2AALDH1A1KDM4EHPGD
SCHEMBL16613628 0.91 ADORA2A (0.41) VCPADORA2ADHODH
SCHEMBL16613702 0.90 VCP (0.32) VCP
SCHEMBL16613626 0.88 SIRT2 (0.32) VCPDHODH
SCHEMBL16613554 0.88 VCP (0.31) VCP
SCHEMBL16613484 0.88 ADORA2A (0.42) VCPADORA2AALDH1A1KDM4EHPGD
SCHEMBL16613625 0.87 VCP (0.34) VCPALDH1A1HPGDMAPT
SCHEMBL16613715 0.85 VCP (0.33) VCP

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
WO-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed