SCHEMBL24699354

SCHEMBL24699354

O=C1NCCc2cc(Br)ccc2C(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.76
PARP11 Q9NR21 9/20 0.76
PARP1 P09874 2/20 0.57
TDP2 O95551 2/20 0.57
GRM5 P41594 4/20 0.42
PDPK1 O15530 1/20 0.42
PNMT P11086 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
METAP1 P53582 1/20 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
SCHEMBL1002712 0.86 PARP10 (1.00) PARP10PARP11PARP1TDP2GRM5
SCHEMBL4899191 0.80 PARP10 (0.56) PARP10PARP11PARP1TDP2PNMT
SCHEMBL17797572 0.77 PARP10 (0.81) PARP10PARP11PARP1TDP2GRM5
SCHEMBL29676851 0.73 PARP10 (1.00) PARP10PARP11PARP1TDP2GRM5
SCHEMBL13512608 0.73 PARP10 (0.64) PARP10PARP11PARP1TDP2PNMT
SCHEMBL123731 0.73 PARP10 (1.00) PARP10PARP11PARP1TDP2GRM5
SCHEMBL2616889 0.73 PARP10 (0.64) PARP10PARP11PARP1TDP2PNMT
SCHEMBL3563577 0.73 TDP2 (1.00) PARP10PARP11TDP2METAP1
SCHEMBL275805 0.72 PARP10 (0.68) PARP10PARP11PARP1TDP2GRM5
SCHEMBL30573213 0.69 PARP10 (0.59) PARP10PARP11PARP1TDP2PNMT

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed