SCHEMBL29072012

SCHEMBL29072012

Cc1c(C2CCN(C(=O)O)CC2)[nH]c2nnc(-c3ccccc3O)cc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 14/20 0.37
▸ SMARCA2 P51531 13/20 0.37
▸ SMARCA4 P51532 13/20 0.37
▸ NR1I2 O75469 8/20 0.36
▸ NR1H2 P55055 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ PROKR1 Q8TCW9 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR1H3 Q13133 3/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 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
SCHEMBL24461526 0.87 SMARCA2 (0.53) PBRM1SMARCA2SMARCA4SMN1; SMN2
SCHEMBL29619399 0.87 SMARCA2 (0.53) PBRM1SMARCA2SMARCA4SMN1; SMN2
SCHEMBL31505518 0.85 BTK (0.42) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL30552632 0.84 SMARCA2 (0.42) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL24461569 0.84 SMARCA2 (0.42) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL30552600 0.84 SMARCA2 (0.42) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL24461303 0.83 SMARCA2 (0.45) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL24461291 0.82 IKBKB (0.39) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL31505612 0.82 IKBKB (0.39) PBRM1SMARCA2SMARCA4NR1I2NR1H2
SCHEMBL31505590 0.76 PBRM1 (0.34) PBRM1SMARCA2SMARCA4NR1I2NR1H2

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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