SCHEMBL29601499

SCHEMBL29601499

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
GLA P06280 1/20 0.32
EGFR P00533 2/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
MGLL Q99685 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP13 P45452 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29601846 0.85 L3MBTL1 (0.36) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL29601199 0.81 ALDH1A1 (0.34) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL29601427 0.68 L3MBTL1 (0.38) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL21628864 0.58 PTGER4 (0.47) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL21628803 0.57 HPGDS (0.44) ALDH1A1KMT2A
SCHEMBL24124968 0.56 LMNA (0.71) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22724722 0.56 RAB9A (0.62) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL27584263 0.56 GAA (0.42) GAAALDH1A1KDM4EHPGDHTT
SCHEMBL9999838 0.55 MAPT (0.83) GAAALDH1A1HPGDHTTKMT2A
SCHEMBL8737929 0.55 LMNA (0.87) GAAALDH1A1KDM4EHPGDMEN1

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