SCHEMBL31381837

SCHEMBL31381837

NC1CC(C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 10/20 0.50
▸ TNKS O95271 2/20 0.48
▸ PARP10 Q53GL7 2/20 0.48
▸ PARP12 Q9H0J9 2/20 0.48
▸ TNKS2 Q9H2K2 2/20 0.48
▸ PARP2 Q9UGN5 2/20 0.48
▸ PARP14 Q460N5 1/20 0.48
▸ PARP11 Q9NR21 1/20 0.48
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ PARP1 P09874 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ SLC6A9 P48067 3/20 0.41

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
Hydrochloric Acid SCHEMBL31381958 0.99 TIPARP (0.49) TIPARPTNKSPARP10PARP12TNKS2
SCHEMBL25225065 0.89 POLB (0.49) TIPARPTNKSPARP10PARP12TNKS2
Hydrochloric Acid SCHEMBL31381862 0.88 POLB (0.48) TIPARPTNKSPARP10PARP12TNKS2
Hydrochloric Acid SCHEMBL31381926 0.87 LMNA (0.47) TIPARPTNKSPARP10PARP12TNKS2
SCHEMBL31381930 0.85 TIPARP (0.51) TIPARPTNKSPARP10PARP12TNKS2
SCHEMBL30479877 0.83 TIPARP (0.51) TIPARPTNKSPARP10PARP12TNKS2
Hydrochloric Acid SCHEMBL31381891 0.83 KDM4E (0.61) LMNASMN1; SMN2POLBKDM4EABL1
SCHEMBL31381895 0.82 SMN1; SMN2 (0.54) LMNASMN1; SMN2POLBKDM4ESLC6A9
SCHEMBL31381925 0.82 SMN1; SMN2 (0.52) LMNASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL31381899 0.82 TIPARP (0.50) TIPARPTNKSPARP10PARP12TNKS2

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
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
CN-119330972-A PARP7 inhibitor and application thereof 重庆华森英诺生物科技有限公司 2025-01-21 — — CN disclosed
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