SCHEMBL29072084

SCHEMBL29072084

CC(C)(C)OC(=O)N1CC(c2[nH]c3nnc(-c4ccccc4O)cc3c2Br)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 3/20 0.49
▸ SMARCA4 P51532 3/20 0.49
▸ PBRM1 Q86U86 3/20 0.49
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGDS O60760 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ KIT P10721 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ BACE1 P56817 3/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL29619449 1.00 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1CCNKCDK12
SCHEMBL29619378 0.86 PBRM1 (0.44) SMARCA2SMARCA4PBRM1
SCHEMBL31505584 0.86 SMARCA2 (0.37) SMARCA2SMARCA4PBRM1CCNKCDK12
SCHEMBL27040439 0.82 PBRM1 (0.36) SMARCA2SMARCA4PBRM1
SCHEMBL24461526 0.81 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1CCNKCDK12
SCHEMBL29619399 0.81 SMARCA2 (0.53) SMARCA2SMARCA4PBRM1CCNKCDK12
SCHEMBL29619413 0.80 SMARCA2 (0.52) SMARCA2SMARCA4PBRM1CCNKCDK12
SCHEMBL24461312 0.80 SMARCA2 (0.52) SMARCA2SMARCA4PBRM1CCNKCDK12
SCHEMBL27053152 0.80 PBRM1 (0.38) SMARCA2SMARCA4PBRM1
SCHEMBL24461256 0.78 PBRM1 (0.39) SMARCA2SMARCA4PBRM1

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
CN-116744929-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 — — CN disclosed
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