SCHEMBL30337030

SCHEMBL30337030

O=C(O)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 9/20 0.58
PARP10 Q53GL7 8/20 0.58
SRD5A1 P18405 4/20 0.54
SRD5A2 P31213 4/20 0.54
GRM5 P41594 3/20 0.54
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
PDPK1 O15530 1/20 0.51
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.47
TDP2 O95551 1/20 0.47

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
SCHEMBL1417726 1.00 PARP11 (0.58) PARP11PARP10SRD5A1SRD5A2GRM5
SCHEMBL29631237 0.87 PARP10 (0.58) PARP11PARP10SRD5A1SRD5A2PDPK1
SCHEMBL20894239 0.87 PARP10 (0.58) PARP11PARP10SRD5A1SRD5A2PDPK1
SCHEMBL8885387 0.85 PARP11 (0.49) PARP11PARP10SRD5A1SRD5A2GRM5
SCHEMBL30421037 0.85 PARP10 (0.57) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL1727165 0.85 PARP11 (0.72) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL14332678 0.83 SMYD3 (0.58) SRD5A1SRD5A2GRM5KDM4EMAPT
SCHEMBL12810163 0.83 PARP10 (0.54) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL12683051 0.81 PRKACA (0.58) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL30336933 0.81 PRKACA (0.58) PARP11PARP10GRM5PRKACAPRKACG

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
CN-117242073-A PRMT5 inhibitors and uses thereof 海思科医药集团股份有限公司 2023-12-15 CN disclosed
CN-115916176-A Inhibitors of alpha 2 beta 1 integrin and methods of use thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed