SCHEMBL21902006

SCHEMBL21902006

Nc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccc(CCCO)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PBRM1 Q86U86 18/20 0.60
▸ SMARCA2 P51531 15/20 0.60
▸ SMARCA4 P51532 15/20 0.60
▸ NR1I2 O75469 9/20 0.60
▸ BRD4 O60885 2/20 0.48
▸ NR1H2 P55055 4/20 0.47
▸ NR1H3 Q13133 3/20 0.45

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
SCHEMBL18081005 0.88 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL30606976 0.88 PBRM1 (0.69) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL18081211 0.85 PBRM1 (0.65) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL30606986 0.80 PBRM1 (0.61) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL18080928 0.80 PBRM1 (0.61) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL21901730 0.80 PBRM1 (0.60) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL18080989 0.80 PBRM1 (0.60) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL31101965 0.79 PBRM1 (0.53) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL30241744 0.78 PBRM1 (0.70) PBRM1SMARCA2SMARCA4NR1I2BRD4
SCHEMBL26148109 0.78 PBRM1 (0.70) PBRM1SMARCA2SMARCA4NR1I2BRD4

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
WO-2020078933-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND/OR SMARCA4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 — — WO disclosed
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