SCHEMBL9710759

SCHEMBL9710759

COc1cc(OS(=O)(=O)C(F)(F)F)cc(OC)c1OC.O=S(=O)(Oc1ccccc1Cl)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.40
TUBB P07437 5/20 0.40
TUBA3C P0DPH7 5/20 0.40
TUBA1B P68363 5/20 0.40
TUBA4A P68366 5/20 0.40
TUBB4B P68371 5/20 0.40
TUBB3 Q13509 5/20 0.40
TUBB2A Q13885 5/20 0.40
TUBB8 Q3ZCM7 5/20 0.40
TUBA3E Q6PEY2 5/20 0.40
TUBA1A Q71U36 5/20 0.40
TUBA1C Q9BQE3 5/20 0.40
TUBB6 Q9BUF5 5/20 0.40
TUBB2B Q9BVA1 5/20 0.40
TUBB1 Q9H4B7 5/20 0.40
EGFR P00533 1/20 0.40
NFE2L2 Q16236 1/20 0.39
HTR1A P08908 1/20 0.39
PGR P06401 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9381708 0.85 NFE2L2 (0.38) NFE2L2PGRLMNASMN1; SMN2ADORA2A
SCHEMBL8502930 0.84 HTR1A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2388924 0.83 PGR (0.41) HTR1APGRLMNAKMT2A
SCHEMBL5599422 0.83 PTGS2 (0.43) NFE2L2LMNASMN1; SMN2ADORA2AADORA1
SCHEMBL31265222 0.83 PTGS2 (0.43) NFE2L2LMNASMN1; SMN2ADORA2AADORA1
SCHEMBL27535808 0.80 DRD2 (0.42) NFE2L2
SCHEMBL7221831 0.78 DRD2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8004806 0.77 CA12 (0.39) NFE2L2PGR
SCHEMBL9710746 0.77 CA12 (0.41) LMNASMN1; SMN2KMT2A
SCHEMBL29414143 0.76 CA1 (0.50) NFE2L2LMNASMN1; SMN2KMT2A

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
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed