SCHEMBL6995604

SCHEMBL6995604

Cc1ccc(S(=O)(=O)O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
SNCA P37840 1/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
NT5E P21589 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39

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
Hydrochloric Acid SCHEMBL28121307 0.98 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDSNCALMNA
SCHEMBL8050419 0.83 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDSNCALMNA
SCHEMBL6782609 0.83 ALDH1A1 (0.48) ALDH1A1HPGDLMNATSHRTDP1
Hydrochloric Acid SCHEMBL26681459 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDSNCALMNA
SCHEMBL30098266 0.81 PTGS2 (0.42) ALDH1A1LMNATDP1CA2CA1
SCHEMBL2586501 0.81 PTGS2 (0.42) ALDH1A1LMNATDP1CA2CA1
SCHEMBL1368195 0.81 CA2 (0.61) LMNAMAPTCA2CA1CA9
SCHEMBL31402607 0.81 LMNA (0.42) ALDH1A1HPGDLMNATSHRTDP1
SCHEMBL83885 0.80 LMNA (0.61) ALDH1A1HSD17B10SNCALMNATSHR
SCHEMBL7205924 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10HPGDSNCALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7533978-B2 Color composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-05-19 US disclosed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO disclosed
US-5206427-A Process for the preparation of aromatic (di)chlorosulphonic acids and (di)bromosulphonic acids BAYER AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed