SCHEMBL17581024

SCHEMBL17581024

Cc1cc2c(cc1N)Oc1cc(N)c(C)cc1C21OC(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TDP1 Q9NUW8 4/20 0.57
FTO Q9C0B1 3/20 0.57
HTT P42858 2/20 0.57
CYP2C19 P33261 2/20 0.57
PRMT1 Q99873 2/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
HPGD P15428 1/20 0.57
SMAD3 P84022 1/20 0.57
LMNA P02545 6/20 0.53
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
GPR55 Q9Y2T6 2/20 0.53
ALOX12 P18054 1/20 0.53
CYP3A4 P08684 3/20 0.53
USP2 O75604 2/20 0.52

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
SCHEMBL14364370 0.88 MAPT (0.62) MAPTMEN1KMT2ATDP1FTO
SCHEMBL14826651 0.87 FTO (0.56) MAPTMEN1KMT2ATDP1FTO
SCHEMBL6410494 0.84 FTO (0.59) MAPTMEN1KMT2ATDP1FTO
SCHEMBL14750827 0.83 MAPT (0.64) MAPTMEN1KMT2ATDP1FTO
SCHEMBL13788695 0.83 MAPT (0.57) MAPTMEN1KMT2ATDP1FTO
SCHEMBL6408158 0.82 MAPT (0.47) MAPTMEN1KMT2ATDP1FTO
SCHEMBL11504496 0.82 CYP3A4 (0.53) MAPTMEN1KMT2ATDP1FTO
SCHEMBL21689819 0.81 MAPT (0.62) MAPTMEN1KMT2ATDP1FTO
SCHEMBL13388766 0.80 MAPT (0.62) MAPTMEN1KMT2ATDP1FTO
SCHEMBL21689817 0.79 MAPT (0.59) MAPTMEN1KMT2ATDP1FTO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998739-A1 ZINC FLUORESCENT PROBE The Procter and Gamble Company (US) 2016-03-23 EP disclosed
US-20160077077-A1 Zinc Fluorescent Probe THE PROCTER & GAMBLE COMPANY 2016-03-17 US disclosed