SCHEMBL30690168

SCHEMBL30690168

Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RAB9A P51151 1/20 0.59
THRB P10828 1/20 0.58
LIPE Q05469 11/20 0.58
BCHE P06276 1/20 0.56
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.51
SCN9A Q15858 1/20 0.51

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
SCHEMBL906222 1.00 LMNA (0.63) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL11351938 0.91 MAPT (0.69) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL10388794 0.87 LMNA (0.50) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL5646066 0.84 MAPT (0.58) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL11383589 0.83 LIPE (0.65) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL9272113 0.83 THRB (0.76) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL8576331 0.83 MAPT (0.65) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL21652204 0.83 RAB9A (0.67) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL11391846 0.83 LIPE (0.67) LMNAMAPTNPSR1RAB9ATHRB
SCHEMBL4728325 0.83 KDM4E (0.62) LMNAMAPTNPSR1RAB9ATHRB

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
CN-117362221-A Synthesis method of stable-killing essence 傅廷国 2024-01-09 CN disclosed