SCHEMBL30520813

SCHEMBL30520813

Cc1cc(F)ccc1CN(C(=O)COCCOCCN1C(=O)c2ccccc2C(F)C1=O)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ MYC P01106 2/20 0.31
▸ SLC5A2 P31639 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ AGTR1 P30556 1/20 0.30

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
SCHEMBL25342028 1.00 FFAR1 (0.33) FFAR1MEN1KMT2AIDO1TDO2
SCHEMBL25342557 0.90 IDO1 (0.34) MEN1KMT2AIDO1TDO2DPP4
SCHEMBL30520753 0.90 IDO1 (0.34) MEN1KMT2AIDO1TDO2DPP4
SCHEMBL30521150 0.86 RXFP1 (0.36) MEN1KMT2AIDO1MYCSLC5A2
SCHEMBL25343604 0.86 RXFP1 (0.36) MEN1KMT2AIDO1MYCSLC5A2
SCHEMBL25342711 0.85 MYC (0.38) FFAR1MEN1KMT2ADPP4DPP8
SCHEMBL30521124 0.85 MYC (0.38) FFAR1MEN1KMT2ADPP4DPP8
SCHEMBL25342697 0.84 GSTP1 (0.38) MEN1KMT2AIDO1MYCSLC5A2
SCHEMBL25342114 0.84 MYC (0.35) MEN1KMT2AIDO1TDO2DPP4
SCHEMBL30520833 0.84 MYC (0.35) MEN1KMT2AIDO1TDO2DPP4

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-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
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