SCHEMBL18174898

SCHEMBL18174898

Cc1ncccc1-c1ccccc1S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
TDO2 P48775 1/20 0.41
PSMD14 O00487 4/20 0.41
COPS5 Q92905 4/20 0.41
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
CYP2A6 P11509 1/20 0.36
IDO1 P14902 1/20 0.36
PDE2A O00408 2/20 0.36
PDE10A Q9Y233 2/20 0.36
ELANE P08246 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
DHODH Q02127 1/20 0.35
PDK2 Q15119 1/20 0.35
PTGS2 P35354 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
SCHEMBL3421959 0.84 MKNK1 (0.52) VHLMKNK1MKNK2TDO2PTPRC
SCHEMBL31469002 0.84 MKNK1 (0.52) VHLMKNK1MKNK2TDO2PTPRC
SCHEMBL2213332 0.80
SCHEMBL9963986 0.78 NOS3 (0.46) VHLMKNK1MKNK2TDO2ELANE
SCHEMBL17117972 0.78 ALDH1A1 (0.44) PSMD14COPS5PTPRCCTSLCTSS
SCHEMBL28231982 0.77 KDM4E (0.50) VHLMKNK1MKNK2TDO2PDE2A
SCHEMBL18174897 0.76 CYP2A6 (0.46) PSMD14COPS5PTPRCCTSLCTSS
SCHEMBL4446669 0.75 MKNK1 (0.46) VHLMKNK1MKNK2TDO2IDO1
SCHEMBL15730138 0.75 MKNK1 (0.50) VHLMKNK1MKNK2TDO2PTPRC
SCHEMBL15731251 0.75 PDE2A (0.48) VHLMKNK1MKNK2TDO2CYP2A6

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
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 US disclosed