SCHEMBL25048447

SCHEMBL25048447

Clc1ncnc2c1ccn2C1CCC(c2cccc(Br)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.37
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ SLC18A3 Q16572 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ NNMT P40261 8/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL25047425 0.87 PIP4K2A (0.39) PIP4K2APRMT5WDR77NNMTDRD2
SCHEMBL25048961 0.83 DRD2 (0.40) PIP4K2APRMT5WDR77NNMTDRD2
SCHEMBL25049159 0.82 PIP4K2A (0.34) PIP4K2APRMT5WDR77NNMT
SCHEMBL25048722 0.78 PIP4K2A (0.39) PIP4K2APRMT5WDR77NNMTSLC22A12
SCHEMBL25047597 0.78 PIP4K2A (0.37) PIP4K2APRMT5WDR77NNMT
SCHEMBL16967987 0.77 PIP4K2A (0.49) PIP4K2APRMT5WDR77SLC22A12
SCHEMBL25046606 0.74 RIPK2 (0.44) PRMT5WDR77
SCHEMBL25049134 0.74 PIP4K2A (0.46) PIP4K2APRMT5WDR77NNMTSLC22A12
SCHEMBL18571707 0.74 ABL1 (0.44) PIP4K2APRMT5WDR77NNMTSLC22A12
SCHEMBL25048378 0.72 PRMT5 (0.45) PRMT5WDR77

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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