SCHEMBL24723933

SCHEMBL24723933

COc1ccc(Oc2cc(-c3cc(C(=O)NCC(=O)Nc4cc(-c5ccc(C(=O)NCC(=O)Nc6ccccc6Oc6ccc(O)cc6)c6ccccc56)ccc4Oc4cccc(O)c4)c4ccccc4c3)ccc2NC(=O)CNC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PYGM P11217 1/20 0.36

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
SCHEMBL18666239 0.93 MTNR1B (0.44) MTNR1BHSP90AA1HSP90AB1ALDH1A1KDM4E
SCHEMBL24724653 0.91 ALDH1A1 (0.38) MTNR1BALDH1A1KDM4EMAPTLMNA
SCHEMBL18666150 0.79 MTNR1B (0.47) MTNR1BALDH1A1KDM4EMAPTHPGD
SCHEMBL18666149 0.78 ALDH1A1 (0.55) MTNR1BALDH1A1KDM4EMAPTLMNA
SCHEMBL18666199 0.77 DEGS1 (0.49) ALDH1A1KDM4ELMNAPOLBTDP1
SCHEMBL18666151 0.77 MTNR1B (0.63) MTNR1BALDH1A1KDM4EMAPTLMNA
SCHEMBL30567101 0.77 MTNR1B (0.63) MTNR1BALDH1A1KDM4EMAPTLMNA
SCHEMBL26267575 0.76 MTNR1B (0.34) MTNR1B
SCHEMBL18666146 0.73 ADRA2C (0.54) MTNR1BALDH1A1LMNAPOLBTDP1
SCHEMBL29660113 0.73 ADRA2C (0.54) MTNR1BALDH1A1LMNAPOLBTDP1

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-2022232509-A1 PCNA INHIBITORS AND EGFR INHIBITORS FOR CANCER TREATMENT CITY OF HOPE (US) 2022-11-03 — — WO disclosed
Send feedback