SCHEMBL9853405

SCHEMBL9853405

O=[C]NCc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 5/20 0.35
CASP6 P55212 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 3/20 0.33
SNCA P37840 2/20 0.33
EGFR P00533 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
NT5E P21589 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
SLC12A2 P55011 1/20 0.31

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
SCHEMBL18913830 0.80 TIMP3 (0.41) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL9853396 0.78 MYC (0.39) ALDH1A1CASP6LMNASNCAEGFR
SCHEMBL14627309 0.77 KMT2A (0.38) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL5115210 0.75 ALDH1A1 (0.41) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL1806781 0.75 ALDH1A1 (0.41) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL1806779 0.75 ALDH1A1 (0.41) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL6429457 0.74 ALDH1A1 (0.40) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL1804271 0.74 TIMP3 (0.41) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL20854288 0.74 ALDH1A1 (0.40) TIMP3ALDH1A1HSD17B10CASP6CYP2C19
SCHEMBL431618 0.74 ALDH1A1 (0.44) TIMP3ALDH1A1HSD17B10CASP6CYP2C19

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
EP-0409117-A1 Silver halide photographic material KONICA CORPORATION (JP) 1991-01-23 EP disclosed