SCHEMBL30745017

SCHEMBL30745017

CCOC(=O)c1nc2ccccc2c(N2CC(OC)C2)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40

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
SCHEMBL30745053 0.84 KDM4E (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30745029 0.80 MAPT (0.44) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL30745004 0.78 MEN1 (0.43) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL30745009 0.77 MAPT (0.47) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL30744991 0.77 LMNA (0.48) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL30688569 0.76 HRH4 (0.53) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL3109659 0.75 MAPT (0.49) MAPTMEN1HSP90AA1KMT2AALDH1A1
SCHEMBL20944158 0.73 GABRA1 (0.52) MAPTMEN1HSP90AA1KMT2AGABRA1
SCHEMBL753481 0.70 POLB (0.51) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL31394801 0.69 LMNA (0.44) ALDH1A1HPGDSMN1; SMN2USP2TSHR

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed