SCHEMBL31402607

SCHEMBL31402607

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
EPAS1 Q99814 1/20 0.37
HPGD P15428 4/20 0.37
CA3 P07451 2/20 0.37
ALDH1A1 P00352 4/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6782609 0.84 ALDH1A1 (0.48) LMNATDP1CA2CA1CA9
SCHEMBL30098266 0.83 PTGS2 (0.42) LMNATDP1CA2CA1CA9
SCHEMBL2586501 0.83 PTGS2 (0.42) LMNATDP1CA2CA1CA9
SCHEMBL1368195 0.83 CA2 (0.61) LMNACA2CA1CA9CA12
SCHEMBL6113301 0.82 LMNA (0.61) LMNATDP1ALDH1A1TSHRPOLB
SCHEMBL31689531 0.81 LMNA (0.41) LMNATDP1CA2CA1CA9
SCHEMBL6995604 0.81 ALDH1A1 (0.42) LMNATDP1CA2CA1CA9
SCHEMBL7546641 0.81 LMNA (0.41) LMNATDP1CA2CA1CA9
SCHEMBL11353339 0.81 LMNA (0.41) LMNATDP1CA2CA1CA9
Hydrochloric Acid SCHEMBL28121307 0.79 ALDH1A1 (0.41) LMNATDP1CA2CA1CA9

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-119591333-A Cement raw material additive and preparation method thereof, and preparation method of cement 华润水泥技术研发(广西)有限公司 2025-03-11 CN claimed
CN-119591333-A Cement raw material additive and preparation method thereof, and preparation method of cement 华润水泥技术研发(广西)有限公司 2025-03-11 CN disclosed