SCHEMBL10935877

SCHEMBL10935877

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3ccccc23)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.57
▸ CASP6 P55212 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39
▸ TUBA4A P68366 1/20 0.39
▸ TUBB4B P68371 1/20 0.39
▸ TUBB3 Q13509 1/20 0.39
▸ TUBB2A Q13885 1/20 0.39
▸ TUBB8 Q3ZCM7 1/20 0.39
▸ TUBA3E Q6PEY2 1/20 0.39
▸ TUBA1A Q71U36 1/20 0.39
▸ TUBA1C Q9BQE3 1/20 0.39
▸ TUBB6 Q9BUF5 1/20 0.39
▸ TUBB2B Q9BVA1 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
SCHEMBL6123746 0.84 CYP1A2 (0.63) CYP1A2ALDH1A1CYP2C9TUBB4ATUBB
SCHEMBL14374819 0.81 CYP1A2 (0.48) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL6571754 0.79 CASP6 (0.51) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL342848 0.74 CASP6 (0.69) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11493955 0.74 CYP1A2 (0.48) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL13852028 0.74 CYP1A2 (0.67) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL13995003 0.73 CYP1A2 (0.66) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL10935870 0.73 CASP6 (0.50) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL13994998 0.73 CYP1A2 (1.00) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL155923 0.72 ALDH1A1 (0.62) CYP1A2CASP6ALDH1A1HSD17B10CYP2C9

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
JP-60133064-A — — None — — JP disclosed
JP-S60133064-A DISAZO COMPOUND AND DYEING PROCESS USING THE SAME NIPPON KAYAKU CO LTD 1985-07-16 — — JP disclosed
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