SCHEMBL31410427

SCHEMBL31410427

O=C(C1CC(NCc2cc(C(F)(F)F)c(=O)[nH]n2)C1)N1C2CC[C@@H]1CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 14/20 0.51
▸ CHRM4 P08173 1/20 0.40
▸ TNKS O95271 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP12 Q9H0J9 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ TRPV4 Q9HBA0 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL31410420 0.86 TIPARP (0.63) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410422 0.86 TIPARP (0.63) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410485 0.85 TIPARP (0.44) TIPARPCHRM4TNKSPARP14PARP10
SCHEMBL31410484 0.74 TIPARP (0.47) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31410474 0.74 TIPARP (0.64) TIPARPTNKSPARP14PARP10PARP12
Hydrochloric Acid SCHEMBL31381924 0.73 TIPARP (0.44) TIPARPCHRM4TRPV4
SCHEMBL27391044 0.73 TIPARP (0.52) TIPARPCHRM4PARP1TRPV4
Hydrochloric Acid SCHEMBL31381929 0.72 TIPARP (0.44) TIPARPTRPV4
Hydrochloric Acid SCHEMBL31381888 0.72 TIPARP (0.44) TIPARPTRPV4
SCHEMBL24968202 0.71 TIPARP (0.77) TIPARPPARP1

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-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 — — WO disclosed
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