SCHEMBL7121265

SCHEMBL7121265

COc1cc(C(C(N)=O)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43

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
SCHEMBL7121715 0.77 TUBB4A (0.44) CA1CA2HTTALDH1A1LMNA
SCHEMBL4983476 0.75 CYP2D6 (0.51) CA1CA2HTTALDH1A1LMNA
SCHEMBL12180354 0.75 CA1 (0.40) CA1CA2HTTALDH1A1LMNA
SCHEMBL15286196 0.74 TUBB4A (0.41) CA1CA2HTTALDH1A1LMNA
SCHEMBL7121261 0.74 TUBB4A (0.44) CA1CA2HTTALDH1A1LMNA
SCHEMBL4798350 0.73 KMT2A (0.44) CA1CA2ALDH1A1KMT2ACA12
SCHEMBL20550796 0.73 ALDH1A1 (0.47) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL7096179 0.73 KMT2A (0.44) ALDH1A1LMNAKMT2APAX8F2
SCHEMBL4801052 0.73 ALDH1A1 (0.42) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL4464950 0.71 CYP2D6 (0.39) CA1CA2HTTALDH1A1LMNA

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
EP-1200412-B1 IMIDAZOLE ANTIPROLIFERATIVE AGENTS ABBOTT LAB (US) 2003-11-12 EP disclosed
US-6201001-B1 Imidazole antiproliferative agents ABBOTT LABORATORIES 2001-03-13 US disclosed