SCHEMBL21200743

SCHEMBL21200743

O=C(O)C=Cc1cc(Cl)nc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ TNKS O95271 1/20 0.48
▸ TNKS2 Q9H2K2 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ HTR1A P08908 1/20 0.46

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
SCHEMBL21200646 1.00 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8746675 0.79 HCAR2 (0.64) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8746677 0.79 HCAR2 (0.64) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1251511 0.78 HDAC3 (0.52) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1251510 0.78 HDAC3 (0.52) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2134058 0.77 KDM4E (0.53) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2134056 0.77 KDM4E (0.53) HCAR2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL6818359 0.77 HDAC3 (0.50) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6023835 0.75 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1167211 0.75 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7

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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