SCHEMBL23010272

SCHEMBL23010272

CC1(C)CCCN1c1nc(Br)ccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.39
PARP2 Q9UGN5 3/20 0.33
TNKS O95271 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP12 Q9H0J9 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL23009999 0.85 PARP1 (0.40) PARP1PARP2TNKSPARP14PARP10
SCHEMBL24773304 0.79 PARP1 (0.36) PARP1PARP2TNKSPARP14PARP10
SCHEMBL21054554 0.78 CFTR (0.38)
SCHEMBL21054553 0.78 CFTR (0.38)
SCHEMBL30746029 0.78 CFTR (0.38)
SCHEMBL29192765 0.77 NNMT (0.34) PARP1PARP2
SCHEMBL22524695 0.75 FFAR2 (0.34) PARP1FFAR2
SCHEMBL30106504 0.75 KDM5A (0.37) PARP1FFAR2
SCHEMBL22975146 0.72 CFTR (0.31) PARP1
SCHEMBL31672108 0.72 CFTR (0.31) PARP1

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-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed