SCHEMBL3971550

SCHEMBL3971550

COC(=O)c1c(OC)ccc(Br)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ERN1 O75460 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
MAPK10 P53779 1/20 0.38
MAPT P10636 2/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL17091203 0.86 LMNA (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL31502538 0.86 LMNA (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL22663397 0.81 TSHR (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL29814549 0.81 TAS1R3 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL23089515 0.81 TAS1R3 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL4599128 0.80 MEN1 (0.47) ALDH1A1ERN1CA12CA1CA2
SCHEMBL3973107 0.78 ERN1 (0.45) ALDH1A1HDAC1HDAC6ERN1CA12
SCHEMBL31305147 0.78 TDP1 (0.46) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL2024134 0.77 KDM4E (0.37) HDAC1HDAC6CA12CA1CA2
SCHEMBL16094982 0.77 HDAC1 (0.43) ALDH1A1HDAC1HDAC6CA12CA1

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
WO-2021126973-A1 COMPOUNDS MODULATING PROTEIN RECRUITMENT AND/OR DEGRADATION ORIONIS BIOSCIENCES, INC. (US) 2021-06-24 WO disclosed
WO-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed