SCHEMBL9846212

SCHEMBL9846212

CCc1cc(NCc2cc3c(cc2OC)CCC3)c(=O)[nH]c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B1 P14061 1/20 0.36
P2RX7 Q99572 4/20 0.35
KDM4E B2RXH2 3/20 0.34
APAF1 O14727 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 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
SCHEMBL9680861 0.85 SLC2A1 (0.38) SLC2A1POLBMEN1KMT2AMAPT
SCHEMBL9168694 0.84 PDE3B (0.42) MEN1KMT2APDE3BPDE3AMAPT
SCHEMBL9846165 0.83 PDE3B (0.41) MEN1KMT2APDE3BPDE3AMAPT
SCHEMBL9846183 0.81 RXFP1 (0.38) SLC2A1POLBKMT2APDE3BPDE3A
SCHEMBL9278136 0.80 MAPT (0.51) POLBKMT2APDE3BPDE3AMAPT
SCHEMBL9283645 0.80 MAPT (0.48) POLBPDE3BPDE3AMAPTGAA
SCHEMBL9846089 0.79 NPSR1 (0.38) POLBKMT2APDE3BPDE3AMAPT
SCHEMBL9164330 0.79 MAPT (0.41) POLBMEN1KMT2APDE3BPDE3A
SCHEMBL9170296 0.76 KDM4E (0.44) SLC2A1POLBPDE3BPDE3AMAPT
SCHEMBL9846383 0.75 PDE3B (0.43) PDE3BPDE3AMAPTGAAP2RX7

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed