SCHEMBL8962200

SCHEMBL8962200

CS(=O)(=O)c1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.68
CDC25A P30304 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 4/20 0.49
AKR1C3 P42330 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BCAT2 O15382 1/20 0.48
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.46
NR4A1 P22736 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL8092650 0.82 KMT2A (0.57) CDC25BALDH1A1POLBAKR1C3TDP1
SCHEMBL2058645 0.82 CDC25B (1.00) CDC25BCDC25AHSD17B10KDM4EALDH1A1
SCHEMBL3074652 0.82 CDC25B (1.00) CDC25BCDC25AHSD17B10KDM4EALDH1A1
SCHEMBL29838630 0.80 BCAT2 (0.62) KDM4EALDH1A1BCAT2LMNACA1
SCHEMBL34748 0.80 BCAT2 (0.62) KDM4EALDH1A1BCAT2LMNACA1
Hydrochloric Acid SCHEMBL7869876 0.78 BCAT2 (0.61) KDM4EALDH1A1BCAT2LMNACA1
SCHEMBL4321077 0.78 BCAT2 (0.59) ALDH1A1BCAT2LMNACA1CA2
SCHEMBL8964225 0.78 CDC25B (0.77) CDC25BCDC25AHSD17B10KDM4EALDH1A1
SCHEMBL14286208 0.78 CDC25B (0.83) CDC25BCDC25AHSD17B10KDM4EALDH1A1
SCHEMBL8962208 0.77 CDC25B (0.70) CDC25BCDC25AHSD17B10KDM4EALDH1A1

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
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed