SCHEMBL25048044

SCHEMBL25048044

Nc1nc(Cl)nc2c1c(-c1nc(Cc3ccccc3)cs1)cn2[C@@H]1C[C@H](C2CCN(CCF)CC2)[C@@H](O)[C@H]1O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31

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
SCHEMBL31617955 1.00 C1S (0.31) C1SCA2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL30941458 0.99 C1S (0.31) C1SCA2DRD2DRD4DRD3
SCHEMBL25047793 0.91 C1S (0.33) C1SCA2DRD2DRD4DRD3
SCHEMBL25048499 0.91 C1S (0.34) C1SCA2
SCHEMBL25048577 0.91 C1S (0.31) C1SCA2DRD2DRD4DRD3
SCHEMBL25047787 0.91 DRD2 (0.33) C1SCA2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL30941651 0.90 C1S (0.30) C1SCA2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL30941307 0.90 KCNH2 (0.32) C1SCA2DRD2DRD4DRD3
SCHEMBL25049338 0.90 CA2 (0.32) C1SCA2DRD2DRD4DRD3
SCHEMBL25047889 0.89 IGF1R (0.32) C1SCA2DRD2DRD4DRD3

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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