SCHEMBL25425830

SCHEMBL25425830

CC1Cc2c(ncc(I)c2Cl)N1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.58

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
SCHEMBL25425826 1.00 NNMT (0.58) NNMT
SCHEMBL25424023 0.78 NNMT (0.56) NNMT
SCHEMBL25426347 0.78 NNMT (0.56) NNMT
SCHEMBL13039932 0.74 NNMT (0.52) NNMT
SCHEMBL25425377 0.74 NNMT (1.00) NNMT
SCHEMBL25425626 0.69 NNMT (0.47) NNMT
SCHEMBL25425630 0.69 NNMT (0.47) NNMT
SCHEMBL25426494 0.65 NNMT (0.47) NNMT
SCHEMBL14530738 0.63 NNMT (0.38) NNMT
SCHEMBL25255431 0.62 NNMT (0.44) NNMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4456892-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF President and Fellows of Harvard College (US) 2024-11-06 — — EP disclosed
WO-2023129512-A1 BICYCLIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-06 — — WO disclosed
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