SCHEMBL31412980

SCHEMBL31412980

Cc1ccc2c(c1)C(C(F)(F)F)CNC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.44
PARP11 Q9NR21 3/20 0.44
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL26510292 0.81 PARP10 (0.44) PARP10PARP11PARP1HTTNCOA1
SCHEMBL26121467 0.81 TDP2 (0.37) PARP10PARP11PARP1HTTNCOA1
SCHEMBL30185581 0.77 PARP3 (0.50) PARP10PARP11PARP1HTTNCOA1
SCHEMBL30934955 0.74 LPL (0.35) HTTNCOA1NCOA3CA1CA2
SCHEMBL29099495 0.73 HRH2 (0.36) LMNAKDM4EMKNK1
Boric Acid SCHEMBL29099586 0.72 PARP3 (0.49) PARP10PARP11PARP1HTTNCOA1
SCHEMBL12242052 0.69 PARP10 (0.47) PARP10PARP11PARP1LMNACHRNB2
SCHEMBL12242053 0.69 PARP10 (0.47) PARP10PARP11PARP1LMNACHRNB2
SCHEMBL13361350 0.69 PARP10 (0.47) PARP10PARP11PARP1LMNACHRNB2
SCHEMBL17131107 0.69 PARP10 (0.38) PARP10PARP11PARP1ALDH1A1KDM4E

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
CN-119233972-A Compounds, compositions, and methods 尼科治疗有限公司 2024-12-31 CN disclosed