SCHEMBL29913748

SCHEMBL29913748

CCN1c2ccc(S(=O)(=O)O)cc2SC1N(N)C1Sc2cc(S(=O)(=O)O)ccc2N1CC

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ EP300 Q09472 1/20 0.31
▸ CASP6 P55212 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7651761 1.00 CA12 (0.32) CA12CA1CA2CA7CA14
SCHEMBL6421977 0.82 ALDH1A1 (0.34) CA12CA1CA2CA7CA14
SCHEMBL969169 0.82 ALDH1A1 (0.34) CA12CA1CA2CA7CA14
SCHEMBL361931 0.82 ALDH1A1 (0.34) CA12CA1CA2CA7CA14
Ammonia Solution, Strong SCHEMBL28851102 0.81 ALDH1A1 (0.33) CA12CA1CA2CA7CA14
SCHEMBL28927324 0.80 ALDH1A1 (0.34) CA12CA1CA2CA7CA14
SCHEMBL7585449 0.80 ALDH1A1 (0.33) CA12CA1CA2CA7CA14
SCHEMBL30600023 0.79 EP300 (0.36) CA12CA1CA2CA7CA14
SCHEMBL278010 0.79 EP300 (0.36) CA12CA1CA2CA7CA14
Ammonia Solution, Strong SCHEMBL4563062 0.78 EP300 (0.36) CA12CA1CA2CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551638-A Method and system for physical expansion and imaging of biological samples 耶鲁大学 2022-12-30 — — CN claimed
CN-115551638-A Method and system for physical expansion and imaging of biological samples 耶鲁大学 2022-12-30 — — CN disclosed
CN-108290936-B anti-TIGIT antibody 默沙东公司 2022-07-12 — — CN disclosed
Send feedback