SCHEMBL9718685

SCHEMBL9718685

O=S(=O)(O)c1ccc2[nH]cnc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
PARP1 P09874 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
LMNA P02545 2/20 0.37
COMT P21964 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
PDPK1 O15530 2/20 0.35
MAPK14 Q16539 1/20 0.35
RCE1 Q9Y256 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL22468120 0.79 ALDH1A1 (0.36) DPP4PARP1PIM1PIM3CLK4
SCHEMBL22230572 0.78 LMNA (0.42) DPP4PARP1LMNACOMTMEN1
SCHEMBL9718690 0.78 MAPK14 (0.38) PARP1PIM1PIM3CLK4ALDH1A1
SCHEMBL1480724 0.75 PARP1 (0.41) DPP4PARP1LMNACOMTMEN1
SCHEMBL28233407 0.74 PARP1 (0.51) PARP1LMNACOMTMEN1POLB
SCHEMBL3860252 0.74 DPP4 (0.62) DPP4PARP1PIM1PIM3CLK4
SCHEMBL11222589 0.73 PARP1 (0.50) PARP1LMNACOMTMEN1POLB
Hydrochloric Acid SCHEMBL6318386 0.69 MEN1 (0.54) PARP1LMNACOMTMEN1POLB
SCHEMBL14762833 0.68 DHODH (0.49) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL22468121 0.68 MAPK14 (0.35) POLBALDH1A1HSD17B10MAPK14RCE1

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-5144081-A Sunscreen agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed