SCHEMBL29802168

SCHEMBL29802168

CC1=CC(C)(C)Nc2cc(Br)ccc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.67
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 6/20 0.59
MAPT P10636 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
NR3C1 P04150 1/20 0.51
AR P10275 1/20 0.51
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL7074023 1.00 PGR (0.67) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL3381466 0.86 KDM4E (0.69) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL941591 0.81 ALDH1A1 (0.73) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL31489985 0.81 ALDH1A1 (0.73) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL30973139 0.80 KDM4E (0.83) PGRALDH1A1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL2174058 0.80 ALDH1A1 (0.71) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL10894057 0.79 PGR (0.67) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL21861904 0.79 ALDH1A1 (0.59) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL6649160 0.79 ALDH1A1 (0.59) PGRALDH1A1KDM4EMAPTMEN1
SCHEMBL31701364 0.79 ALDH1A1 (0.59) PGRALDH1A1KDM4EMAPTMEN1

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-114805349-A Preparation method of natural product veranamine alkaloid 河北工业大学 2022-07-29 CN claimed
CN-114805349-A Preparation method of natural product veranamine alkaloid 河北工业大学 2022-07-29 CN disclosed