SCHEMBL24724653

SCHEMBL24724653

O=C(CNC(=O)c1cccc2ccccc12)Nc1cc(-c2ccc(C(=O)NCC(=O)Nc3ccccc3Oc3ccc(O)cc3)c3ccccc23)ccc1Oc1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ DEGS1 O15121 1/20 0.37
▸ ADRA2C P18825 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL24723933 0.91 MTNR1B (0.38) ALDH1A1KDM4EMAPTHPGDRECQL
SCHEMBL18666150 0.87 MTNR1B (0.47) ALDH1A1KDM4EGFERMAPTHPGD
SCHEMBL18666199 0.85 DEGS1 (0.49) ALDH1A1KDM4EGFERTAOK1PTPN1
SCHEMBL29660113 0.81 ADRA2C (0.54) ALDH1A1MTNR1BTAOK1ADRA2CMEN1
SCHEMBL18666146 0.81 ADRA2C (0.54) ALDH1A1MTNR1BTAOK1ADRA2CMEN1
SCHEMBL18666239 0.81 MTNR1B (0.44) ALDH1A1KDM4EMAPTHPGDRECQL
SCHEMBL18666151 0.77 MTNR1B (0.63) ALDH1A1KDM4EMAPTRECQLMTNR1B
SCHEMBL30567101 0.77 MTNR1B (0.63) ALDH1A1KDM4EMAPTRECQLMTNR1B
SCHEMBL18666149 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMTNR1BMEN1
SCHEMBL23099307 0.76 KDM4E (0.46) ALDH1A1KDM4EMAPTMTNR1BTAOK1

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
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