SCHEMBL29178463

SCHEMBL29178463

CC(C)(C)[S@+]([O-])NC(CCCc1ccccc1)c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
MMP2 P08253 9/20 0.34
MMP3 P08254 5/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL25139599 1.00 HPGD (0.38) HPGDMMP2MMP3POLBALDH1A1
SCHEMBL29178461 1.00 HPGD (0.38) HPGDMMP2MMP3POLBALDH1A1
SCHEMBL29178321 0.88 HPGD (0.37) HPGDMMP2MMP3ALDH1A1GAA
SCHEMBL24814271 0.88 HPGD (0.37) HPGDMMP2MMP3ALDH1A1GAA
SCHEMBL29178318 0.88 HPGD (0.37) HPGDMMP2MMP3ALDH1A1GAA
SCHEMBL29178383 0.82 FAAH (0.36) HPGDMMP2MMP3
SCHEMBL24814186 0.82 FAAH (0.36) HPGDMMP2MMP3
SCHEMBL29178388 0.82 FAAH (0.36) HPGDMMP2MMP3
SCHEMBL18432169 0.76
SCHEMBL19841795 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4358954-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2024-05-01 EP disclosed
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed