SCHEMBL21201248

SCHEMBL21201248

NNC(=O)C(F)(F)C1(c2cccc(NC(=O)O)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ BACE1 P56817 8/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL29866952 0.83 HCRTR1 (0.46) ALDH1A1CYP2C19BACE1
SCHEMBL21200277 0.80 ALDH1A1 (0.43) ALDH1A1MEN1HTTKMT2ACYP1A2
SCHEMBL21201116 0.72 CBLB (0.44) POLBMAPT
SCHEMBL21200967 0.71 MEN1 (0.35) MEN1HTTKMT2ACYP1A2POLB
SCHEMBL21200585 0.68 ALDH1A1 (0.51) ALDH1A1MEN1HTTKMT2ACYP2C9
SCHEMBL11858223 0.67 GPR35 (0.67) MEN1KMT2APOLBMAPT
SCHEMBL21200853 0.67 HCRTR1 (0.45) ALDH1A1HTTCYP1A2POLBCYP2C9
SCHEMBL28148358 0.67 KMT2A (0.42) MEN1HTTKMT2ACYP1A2POLB
SCHEMBL24028223 0.67 KMT2A (0.48) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL16798502 0.66 THRB (0.43) ALDH1A1MEN1KMT2APOLBRAB9A

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-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 — — EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 — — WO disclosed
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