SCHEMBL24972170

SCHEMBL24972170

O=C1OC2(c3ccccc31)c1ccc3cc(OS(=O)(=O)C(F)(F)F)ccc3c1Oc1c2ccc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.45
GNB1 P62873 1/20 0.45
CYP3A4 P08684 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
PRMT1 Q99873 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
FTO Q9C0B1 2/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMAD3 P84022 1/20 0.40
HSP90AA1 P07900 2/20 0.39

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
SCHEMBL10145566 0.92 CYP3A4 (0.46) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL31063708 0.88 CYP3A4 (0.49) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL10145674 0.83 CYP3A4 (0.41) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL28503884 0.82 CYP3A4 (0.62) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL31110328 0.79 MAPT (0.69) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL30320750 0.78 CYP3A4 (0.45) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL18493236 0.78 CYP3A4 (0.45) GNG2GNB1CYP3A4MEN1KMT2A
SCHEMBL30639273 0.77 MEN1 (0.50) CYP3A4MEN1KMT2AMAPTLMNA
SCHEMBL26133692 0.77 MEN1 (0.50) CYP3A4MEN1KMT2AMAPTLMNA
SCHEMBL20436815 0.77 CYP3A4 (0.58) GNG2GNB1CYP3A4MEN1KMT2A

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-2023004400-A1 DIBENZOXANTHENE QUENCHERS, USES, AND METHODS OF PREPARATION Life Technologies Corporation (US) 2023-01-26 WO disclosed