SCHEMBL28984056

SCHEMBL28984056

COC(=O)C(Br)=Cc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RELA Q04206 1/20 0.37

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
SCHEMBL6065180 0.84 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2ANPSR1
SCHEMBL28502066 0.83 MAPT (0.46) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL16065669 0.83 MAPT (0.46) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8138421 0.81 MAPT (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9401639 0.76 KDM4E (0.52) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL26080815 0.76 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10353052 0.76 KDM4E (0.52) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL9401645 0.76 KDM4E (0.52) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL10359613 0.75 TGM2 (0.43) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL17221128 0.74 ALDH1A1 (0.41) MAPTALDH1A1KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115959962-A Visible light promoted halogenated alkane hydrodehalogenation method 中国科学院兰州化学物理研究所 2023-04-14 CN disclosed