SCHEMBL30180031

SCHEMBL30180031

CNc1c(N)ccc(OC)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ APP P05067 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ KAT8 Q9H7Z6 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 2/20 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
SCHEMBL23832606 1.00 IDO1 (0.41) IDO1ALDH1A1APPGAAEP300
SCHEMBL11900835 0.78 PLAU (0.44) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL625995 0.77 IDO1 (0.41) IDO1ALDH1A1APPGAAEP300
SCHEMBL5162191 0.77 IDO1 (0.41) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL17276035 0.75 MAPT (0.47) IDO1ALDH1A1APPGAAEP300
SCHEMBL9826944 0.74 IDO1 (0.42) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL27471733 0.74 IDO1 (0.45) IDO1ALDH1A1APPGAAEP300
SCHEMBL2294249 0.74 ALDH1A1 (0.47) IDO1ALDH1A1APPGAAEP300
Hydrochloric Acid SCHEMBL9793088 0.73 EP300 (0.44) IDO1ALDH1A1GAAEP300KAT8
SCHEMBL16831742 0.73 POLB (0.44) ALDH1A1APPGAACYP3A4TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121043-A1 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-01-25 — — EP disclosed
WO-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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