SCHEMBL8073053

SCHEMBL8073053

CCC1C(C(=O)O)NCCN1S(=O)(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.41
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7436813 0.73 AKR1C3 (0.50) F10ALDH1A1ADAM17PKMAKR1C3
SCHEMBL6301308 0.70 PKM (0.45) F10MMP1MMP13ADAM17POLB
SCHEMBL6789523 0.69 KMT2A (0.48) ALDH1A1ADAM17PKM
SCHEMBL6298944 0.68 TDO2 (0.52) F10PKMAKR1C3AKR1C1
SCHEMBL2266915 0.65 PKM (0.73) F10ALDH1A1PKM
Hydrochloric Acid SCHEMBL5733824 0.64 PKM (0.71) F10ALDH1A1PKM
SCHEMBL4625949 0.62 SNCA (0.51) F10ALDH1A1MMP1MMP13
SCHEMBL948719 0.61 ALDH1A1 (0.56) ALDH1A1POLBCTDSP1TDP1L3MBTL1
SCHEMBL5804011 0.60 ALDH1A1 (0.56) ALDH1A1POLBPKMAKR1C3AKR1C1
SCHEMBL5804014 0.60 ALDH1A1 (0.56) ALDH1A1POLBPKMAKR1C3AKR1C1

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
US-6022869-A Aminoheterocyclic compounds with antithrombotic/anticoagulant effect ZENECA LIMITED (GB) 2000-02-08 US disclosed