SCHEMBL29601846

SCHEMBL29601846

CC(=O)n1cnc2nc(Cl)nc(Oc3ccc(C)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.35
MMP13 P45452 1/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
ENPP1 P22413 1/20 0.33
XIAP P98170 1/20 0.33
NPBWR1 P48145 4/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.32
EGFR P00533 2/20 0.32
MCHR1 Q99705 3/20 0.32

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
SCHEMBL29601499 0.85 GAA (0.35) L3MBTL1KDM4EGAAMMP13ALDH1A1
SCHEMBL29601427 0.81 L3MBTL1 (0.38) L3MBTL1KDM4EGAAMMP13ALDH1A1
SCHEMBL29601199 0.68 ALDH1A1 (0.34) L3MBTL1KDM4EGAAALDH1A1HPGD
SCHEMBL29601167 0.63 ALDH1A1 (0.36) ALDH1A1POLBLMNA
SCHEMBL29601196 0.63 HDAC1 (0.43) L3MBTL1KDM4EPOLBNPSR1
SCHEMBL18068342 0.59 RAB9A (0.49) L3MBTL1KDM4EGAAALDH1A1HPGD
SCHEMBL1397023 0.58 CDK1 (0.37)
SCHEMBL5213935 0.57 GAA (0.62) L3MBTL1KDM4EGAAALDH1A1POLB
SCHEMBL24124968 0.56 LMNA (0.71) GAAMMP13ALDH1A1POLBKMT2A
SCHEMBL22724722 0.56 RAB9A (0.62) L3MBTL1GAAMMP13ALDH1A1POLB

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
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed