SCHEMBL28051400

SCHEMBL28051400

COC(=O)c1c2ccccc2c(Br)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NCEH1 Q6PIU2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX5 P09917 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL70573 0.89 CA12 (0.60) NR4A2LMNAMAPK1CA12CA1
SCHEMBL11786743 0.83 CA12 (0.58) NR4A2LMNAMAPK1CA12CA1
SCHEMBL3194807 0.82 MEN1 (0.60) NR4A2LMNAMAPK1CA12CA1
SCHEMBL17080394 0.79 CA12 (0.55) LMNAMAPK1CA12CA1CA2
SCHEMBL27729823 0.78 KIF11 (0.58) LMNACA12CA1CA2CA7
SCHEMBL28391493 0.77 SMN1; SMN2 (0.60) NR4A2LMNAMAPK1CA12CA1
SCHEMBL30881996 0.76 CA12 (0.55) NR4A2LMNAMAPK1CA12CA1
SCHEMBL30881971 0.76 NR4A2 (0.54) NR4A2LMNAMAPK1CA12CA1
SCHEMBL10559440 0.76 ALDH1A1 (0.59) NR4A2LMNAMAPK1CA12CA1
SCHEMBL28032836 0.76 MEN1 (0.63) NR4A2LMNAMAPK1CA12CA1

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-105237337-A Novel synthesis method for 5-[10-(9-carbosyl anthryl)]-isophthalic acid UNIV ZUNYI MEDICAL 2016-01-13 CN claimed
CN-105237337-A Novel synthesis method for 5-[10-(9-carbosyl anthryl)]-isophthalic acid UNIV ZUNYI MEDICAL 2016-01-13 CN disclosed