SCHEMBL23134537

SCHEMBL23134537

COc1ccc(C(=O)N2CCC(CN3CCN(C(C)=O)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.45
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 2/20 0.39

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
SCHEMBL30501235 0.91 SOS1 (0.46) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL25935489 0.91 SOS1 (0.46) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31447662 0.90 SOS1 (0.44) SOS1NR3C1PGRSLC6A4KCNH2
Hydrochloric Acid SCHEMBL30278940 0.90 SOS1 (0.45) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL25583436 0.89 SOS1 (0.44) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31213547 0.89 SOS1 (0.46) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL29013134 0.88 SOS1 (0.46) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL25333977 0.88 SOS1 (0.44) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL30501242 0.88 SOS1 (0.44) SOS1NR3C1PGRSLC6A4KCNH2
SCHEMBL31255281 0.87 SOS1 (0.44) SOS1NR3C1PGRSLC6A4KCNH2

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-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
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